Glycoside
GD113040
Name:
NoneFormula:
C38H40O8S2Smiles:
CCSC(SCC)[C@H](O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@H](COCc1ccccc1)OC(=O)c1ccccc1Aglycone:
CCSCSCC.Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1Sugarmoiety:
OOCC(OO)C(OO)C(OO)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 7.07 | Num_rotatable_bonds: | 18 |
| MolWt: | 688.86 | Num_heavy_atoms: | 48 |
| TPSA: | 108.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD17625
Formula: C5H12S2
Smiles:
CCSCSCC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 136.29 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
