Glycoside
GD017694
Name:
NoneFormula:
C29H30O11NClSmiles:
COc1ccc2c(c1)c(CC(=O)OC(C)C(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1Aglycone:
COC(=O)C(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 592.0 | Num_heavy_atoms: | 41 |
| TPSA: | 173.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD12609
Formula: C24H22O6NCl
Smiles:
COC(=O)C(C)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12| HBA: | 7 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.26 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 443.88 | Num_heavy_atoms: | 31 |
| TPSA: | 83.83 | NumAromaticRings: | 3 |
