Glycoside
GD156727
Name:
3,3',5,5',7-Pentahydroxy-4'-Methoxyflavone; 3-O-[β-D-Galactopyranosyl-(1->4)-β-D-Galactopyranoside]Formula:
C28H32O18Smiles:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1OAglycone:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 656.55 | Num_heavy_atoms: | 46 |
| TPSA: | 298.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD09774
Formula: C16H12O8
Smiles:
COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
