Glycoside
GD087991
Name:
NoneFormula:
C18H27O7N3SSmiles:
CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC2Aglycone:
CC(C)CNC(=O)c1nc2c(s1)CCNCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 429.5 | Num_heavy_atoms: | 29 |
| TPSA: | 160.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD38560
Formula: C12H19ON3S
Smiles:
CC(C)CNC(=O)c1nc2c(s1)CCNCC2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.37 | Num_heavy_atoms: | 17 |
| TPSA: | 54.02 | NumAromaticRings: | 1 |
