Glycoside
GD141769
Name:
2'-Hydroxygenistein 7-O-(6''-Malonylglucoside)Formula:
C24H22O14Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4O)coc3c2)C(O)C(O)C1OAglycone:
COC(=O)CC(=O)O.O=c1c(-c2ccc(O)cc2O)coc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.43 | Num_heavy_atoms: | 38 |
| TPSA: | 233.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD15509
Formula: C15H10O6
Smiles:
O=c1c(-c2ccc(O)cc2O)coc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
