Glycoside
GD143657
Name:
Herbacetin 3-Glucuronide-8-GlucosideFormula:
C27H28O18Smiles:
O=C(O)C1OC(Oc2c(-c3ccc(O)cc3)oc3c(OC4OC(CO)C(O)C(O)C4O)c(O)cc(O)c3c2=O)C(O)C(O)C1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.41 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 640.5 | Num_heavy_atoms: | 45 |
| TPSA: | 306.73 | 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 |
