Glycoside
GD127884
Name:
Herbacetin 3-Sophoroside-8-GlucosideFormula:
C33H40O22Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.55 |
| AlogP: | -5.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 788.66 | Num_heavy_atoms: | 55 |
| TPSA: | 368.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD03890
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
