Summary

IMPPAT Phytochemical identifier: IMPHY013542

Phytochemical name: Rhodiolgidin

Synonymous chemical names:
rhodiolgidin

External chemical identifiers:
CID:76968916, ZINC:ZINC000212635593, FDASRS:AX83TOZ7W1

---

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2c(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c3c2oc(c2ccc(c(c2)O)O)c(c3=O)O)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C27H30O17/c1-7-15(32)18(35)21(38)26(40-7)41-12-5-11(31)14-17(34)20(37)23(8-2-3-9(29)10(30)4-8)43-25(14)24(12)44-27-22(39)19(36)16(33)13(6-28)42-27/h2-5,7,13,15-16,18-19,21-22,26-33,35-39H,6H2,1H3/t7-,13+,15-,16+,18+,19-,21+,22+,26-,27-/m0/s1

InChIKey:
KPCPRCRZARJYDU-LCRMOASBSA-N

DeepSMILES:
OC[C@H]O[C@@H]OccO[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6O))O))O))))))cccc6occccccc6)O))O)))))cc6=O))O))))))O))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c(OC3CCCCO3)c(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC(OC1CCCCO1)C2OC1CCCCO1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC(CC1CCCCC1)C2CC1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 2.008

---

Chemical structure download