Glycoside
GD021907
Name:
NoneFormula:
C23H26O6N2SSmiles:
O=C(C=Cc1cccc(NC(=S)Nc2ccccc2)c1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)C=Cc1cccc(NC(=S)Nc2ccccc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 458.54 | Num_heavy_atoms: | 32 |
| TPSA: | 131.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD06773
Formula: C17H16ON2S
Smiles:
CC(=O)C=Cc1cccc(NC(=S)Nc2ccccc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.4 | Num_heavy_atoms: | 21 |
| TPSA: | 41.13 | NumAromaticRings: | 2 |
