Glycoside
GD014113
Name:
NoneFormula:
C40H28O14SSmiles:
Cc1ccc(S(=O)(=O)OC2C(O)C(O)OC2C(c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1Aglycone:
Cc1ccc(S(=O)(=O)O)cc1.O=C1c2ccccc2C(=O)c2c(O)c(Cc3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)cc(O)c21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.15 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 764.72 | Num_heavy_atoms: | 55 |
| TPSA: | 242.26 | NumAromaticRings: | 5 |
Unique Aglycone
AD00419
Formula: C7H8O3S
Smiles:
Cc1ccc(S(=O)(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.21 | Num_heavy_atoms: | 11 |
| TPSA: | 54.37 | NumAromaticRings: | 1 |
AD10432
Formula: C29H16O8
Smiles:
O=C1c2ccccc2C(=O)c2c(O)c(Cc3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)cc(O)c21| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.03 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 492.44 | Num_heavy_atoms: | 37 |
| TPSA: | 149.2 | NumAromaticRings: | 4 |
