Glycoside
GD025237
Name:
NoneFormula:
C32H31O10N2ClSSmiles:
CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(SC)cc4)c(=O)oc3c2Cl)OC1(C)CAglycone:
CSc1ccc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)cc1.Cc1ccc(C(=O)O)[nH]1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 659.11 | Num_heavy_atoms: | 45 |
| TPSA: | 169.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD00152
Formula: C6H7O2N
Smiles:
Cc1ccc(C(=O)O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD14178
Formula: C18H12O5NClS
Smiles:
CSc1ccc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 377.81 | Num_heavy_atoms: | 25 |
| TPSA: | 99.77 | NumAromaticRings: | 3 |
