Glycoside
GD019941
Name:
NoneFormula:
C42H40O21Smiles:
O=C(O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1=Cc2cc(O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2[C@H](c2ccc(O)c(O)c2)C1C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OAglycone:
O=C(OC(Cc1ccc(O)c(O)c1)C(=O)O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC(Cc1ccc(O)c(O)c1)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.29 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 14 |
| MolWt: | 880.76 | Num_heavy_atoms: | 63 |
| TPSA: | 368.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD13843
Formula: C36H30O16
Smiles:
O=C(OC(Cc1ccc(O)c(O)c1)C(=O)O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC(Cc1ccc(O)c(O)c1)C(=O)O| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.17 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 718.62 | Num_heavy_atoms: | 52 |
| TPSA: | 289.04 | NumAromaticRings: | 4 |
