Glycoside
GD002861
Name:
NoneFormula:
C18H29O5N2ClSSmiles:
CS[C@@H]1O[C@H]([C@H](NC(=O)[C@@H]2NC[C@H]2CC2CC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(Cl)CNC(=O)C1NCC1CC1CC1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 7 |
| MolWt: | 408.95 | Num_heavy_atoms: | 26 |
| TPSA: | 111.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD02678
Formula: C12H19ON2Cl
Smiles:
CC(Cl)CNC(=O)C1NCC1CC1CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 230.74 | Num_heavy_atoms: | 15 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
