Glycoside
GD010341
Name:
NoneFormula:
C35H42O20Smiles:
CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.54 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 782.7 | Num_heavy_atoms: | 55 |
| TPSA: | 314.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD00022
Formula: C15H10O6
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc(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 |
