Glycoside
GD035186
Name:
NoneFormula:
C37H42O23PSmiles:
COc1cc([C@@H]2Oc3cc([C@@H]4Oc5cc(O)cc(O)c5C(=O)[C@H]4O)ccc3O[C@H]2COP(=O)([O-])OC2O[C@H](CO)[C@H](OC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)([O-])O)ccc1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.49 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 12 |
| MolWt: | 885.69 | Num_heavy_atoms: | 61 |
| TPSA: | 362.8 | NumAromaticRings: | 3 |
Unique Aglycone
AD12761
Formula: C25H22O13P
Smiles:
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)([O-])O)ccc1O| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 561.41 | Num_heavy_atoms: | 39 |
| TPSA: | 204.5 | NumAromaticRings: | 3 |
