Glycoside
GD008487
Name:
NoneFormula:
C22H24O5N2SSmiles:
O=C(C=Cc1cccc(NC(=S)Nc2ccccc2)c1)C[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=O)C=Cc1cccc(NC(=S)Nc2ccccc2)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.27 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 428.51 | Num_heavy_atoms: | 30 |
| TPSA: | 111.05 | 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 |
