Summary

IMPPAT Phytochemical identifier: IMPHY012410

Phytochemical name: Mimonoside C

Synonymous chemical names:
mimonosides c

External chemical identifiers:
CID:178435

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Chemical structure information

SMILES:
OCC1OC(OC2CCC3(C(C2(C)C)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)C(C2)O)C(=O)OC2OC(C)C(C(C2O)O)O)C)C)C(C(C1OC1OCC(C(C1O)O)O)O)OC1OCC(C(C1O)OC1OC(CO)C(C(C1OC1OC(C)C(C(C1O)O)O)O)O)OC1OCC(C(C1O)O)O

InChI:
InChI=1S/C69H112O34/c1-25-38(75)43(80)48(85)59(93-25)102-54-45(82)42(79)31(20-70)95-62(54)100-53-33(97-56-46(83)40(77)29(72)22-90-56)24-92-58(51(53)88)101-55-50(87)52(99-57-47(84)41(78)30(73)23-91-57)32(21-71)96-61(55)98-37-13-14-66(7)34(65(37,5)6)12-15-68(9)35(66)11-10-27-28-18-64(3,4)36(74)19-69(28,17-16-67(27,68)8)63(89)103-60-49(86)44(81)39(76)26(2)94-60/h10,25-26,28-62,70-88H,11-24H2,1-9H3

InChIKey:
ZAQBIKQZWUKFJU-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCCCCC6C)C))CCCC6CC=CC6C)CCCC6CCC)C)CC6)O)))))C=O)OCOCC)CCC6O))O))O)))))))))))))))C)))))C))))))CCC6OCOCCCC6O))O))O)))))))O))OCOCCCC6O))OCOCCO))CCC6OCOCC)CCC6O))O))O)))))))O))O)))))))OCOCCCC6O))O))O

Functional groups:
CC=C(C)C, CO, COC(C)OC, COC(C)OC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CCCCO1)C12CCCCC1C1=CCC3C4CCC(OC5OCC(OC6CCCCO6)CC5OC5CC(OC6OCCCC6OC6CCCCO6)C(OC6CCCCO6)CO5)CC4CCC3C1CC2

Scaffold Graph/Node level:
OC(OC1CCCCO1)C12CCCCC1C1CCC3C4CCC(OC5OCC(OC6CCCCO6)CC5OC5CC(OC6OCCCC6OC6CCCCO6)C(OC6CCCCO6)CO5)CC4CCC3C1CC2

Scaffold Graph level:
CC(CC1CCCCC1)C12CCCCC1C1CCC3C4CCC(CC5CCC(CC6CCCCC6)CC5CC5CCC(CC6CCCCC6)C(CC6CCCCC6CC6CCCCC6)C5)CC4CCC3C1CC2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Oleanane triterpenoids

NP-Likeness score: 1.851

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Chemical structure download