Glycoside
GD128237
Name:
Genestein G2Formula:
C28H32O13Smiles:
COC1C(Oc2cc(OC3OC(C)C(O)C(O)C3O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)OC(C)C(O)C1OAglycone:
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 576.55 | Num_heavy_atoms: | 41 |
| TPSA: | 197.74 | 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 |
