Glycoside
GD148845
Name:
8-glucosyl-3,3',4',5,7-pentahydroxy-6-prenylflavone; 3'-me ether, 3-o-[β-d-glucopyranosyl-(1->4)-β-d-glucopyranoside]Formula:
C39H50O22Smiles:
COc1cc(-c2oc3c(C4OC(CO)C(O)C(O)C4O)c(O)c(CC=C(C)C)c(O)c3c(=O)c2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.56 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 12 |
| MolWt: | 870.81 | Num_heavy_atoms: | 61 |
| TPSA: | 368.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD59544
Formula: C21H20O7
Smiles:
COc1cc(-c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 384.38 | Num_heavy_atoms: | 28 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
