Glycoside
GD024686
Name:
NoneFormula:
C57H60O22Smiles:
O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c1c(O)c([C@H](CCc1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c(O)c2[C@H](CCc1ccc(O)cc1)c1ccc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)c(C(CCc1ccc(O)cc1)c1ccc(O)cc1O)c(O)c2C(CCc1ccc(O)cc1)c1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 9 |
| HBD: | 16 | FractionCSP3: | 0.35 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 17 |
| MolWt: | 1097.09 | Num_heavy_atoms: | 79 |
| TPSA: | 386.9 | NumAromaticRings: | 6 |
Unique Aglycone
AD07356
Formula: C45H40O12
Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2c1c(O)c(C(CCc1ccc(O)cc1)c1ccc(O)cc1O)c(O)c2C(CCc1ccc(O)cc1)c1ccc(O)cc1O| HBA: | 12 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.18 |
| AlogP: | 7.98 | Num_rotatable_bonds: | 11 |
| MolWt: | 772.8 | Num_heavy_atoms: | 57 |
| TPSA: | 228.6 | NumAromaticRings: | 6 |
