Glycoside
GD006653
Name:
NoneFormula:
C23H21O7ClSSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3cc4ccccc4s3)c(Cl)c3c2OCO3)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1c(Cc2cc3ccccc3s2)ccc2c1OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 464.92 | Num_heavy_atoms: | 31 |
| TPSA: | 108.61 | NumAromaticRings: | 3 |
Unique Aglycone
AD05484
Formula: C17H11O2ClS
Smiles:
Clc1c(Cc2cc3ccccc3s2)ccc2c1OCO2| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.78 | Num_heavy_atoms: | 20 |
| TPSA: | 18.46 | NumAromaticRings: | 3 |
