Glycoside
GD003550
Name:
NoneFormula:
C31H33O18PSmiles:
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](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)(O)O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 9 |
| MolWt: | 724.56 | Num_heavy_atoms: | 50 |
| TPSA: | 280.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD03215
Formula: C25H23O13P
Smiles:
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2COP(=O)(O)O)ccc1O| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.42 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 3 |
