Glycoside
GD020222
Name:
12,GNEMENOSIDE AFormula:
C40H42O16Smiles:
OC[C@@H]1O[C@H](Oc2ccc(C=Cc3cc(O)c4c(c3)O[C@H](c3ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc3)[C@H]4c3cc(O)cc(O)c3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1ccc(C=Cc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.35 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 778.76 | Num_heavy_atoms: | 56 |
| TPSA: | 268.68 | NumAromaticRings: | 4 |
Unique Aglycone
AD09403
Formula: C28H22O6
Smiles:
Oc1ccc(C=Cc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 5.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.48 | Num_heavy_atoms: | 34 |
| TPSA: | 110.38 | NumAromaticRings: | 4 |
