Glycoside
GD138544
Name:
Genistein 7-O-Beta-D-Glucopyranoside-4'-O-(6'''-O-Alpha-L-Rhamnopyranosyl+Formula:
C39H50O24Smiles:
CC1OC(OCC2OC(Oc3ccc(-c4coc5cc(OC6OC(CO)C(O)C(O)C6O)cc(O)c5c4=O)cc3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.62 |
| AlogP: | -5.8 | Num_rotatable_bonds: | 12 |
| MolWt: | 902.81 | Num_heavy_atoms: | 63 |
| TPSA: | 387.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD02603
Formula: C15H10O5
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
