Glycoside
GD001520
Name:
NoneFormula:
C29H31O15ClSmiles:
COc1ccc(-c2oc3cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2Cl)cc1OAglycone:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2Cl)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 642.99 | Num_heavy_atoms: | 44 |
| TPSA: | 238.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD01518
Formula: C17H11O6Cl
Smiles:
COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2Cl)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 334.71 | Num_heavy_atoms: | 23 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
