Glycoside
GD108599
Name:
NoneFormula:
C25H25O12NS2Smiles:
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C1NC(=S)SC1=Cc1ccc2c(c1)OCO2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.44 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 595.6 | Num_heavy_atoms: | 40 |
| TPSA: | 153.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD44449
Formula: C11H7O3NS2
Smiles:
O=C1NC(=S)SC1=Cc1ccc2c(c1)OCO2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 265.31 | Num_heavy_atoms: | 17 |
| TPSA: | 47.56 | NumAromaticRings: | 1 |
