Summary

IMPPAT Phytochemical identifier: IMPHY013289

Phytochemical name: Strophanthin G

Synonymous chemical names:
strophanthin,g-

External chemical identifiers:
CID:16760601

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Chemical structure information

SMILES:
OCC12C(O)CC(CC2(O)CCC2C1C(O)CC1(C2(O)CCC1C1=CC(=O)OC1)C)OC1OC(C)C(C(C1O)O)O.O.O.O.O.O.O.O.O

InChI:
InChI=1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2

InChIKey:
TYBARJRCFHUHSN-UHFFFAOYSA-N

DeepSMILES:
OCCCO)CCCC6O)CCCC%10CO)CCC6O)CCC5C=CC=O)OC5)))))))))C))))))))))OCOCC)CCC6O))O))O.O.O.O.O.O.O.O.O

Functional groups:
CC1=CC(=O)OC1, CO, COC(C)OC, O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1

Scaffold Graph/Node level:
OC1CC(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1

Scaffold Graph level:
CC1CCC(C2CCC3C2CCC2C4CCC(CC5CCCCC5)CC4CCC23)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Steroids and steroid derivatives

ClassyFire Subclass: Steroid lactones

NP-Likeness score: 2.682

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Chemical structure download