Glycoside
GD121126
Name:
Genistein 7-O-(6''-Succinylglucoside)Formula:
C25H24O13Smiles:
O=C(O)CCC(=O)OCC1OC(Oc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C(O)C(O)C1OAglycone:
COC(=O)CCC(=O)O.O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 8 |
| MolWt: | 532.45 | Num_heavy_atoms: | 38 |
| TPSA: | 213.42 | 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 |
AD08961
Formula: C5H8O4
Smiles:
COC(=O)CCC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 132.12 | Num_heavy_atoms: | 9 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
