Glycoside
GD093604
Name:
NoneFormula:
C22H35O9N3Smiles:
CC(=O)N(C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1OAglycone:
CC(=O)N(C)C.CC(=O)NC1CC1.CC(=O)NC1CC1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 485.53 | Num_heavy_atoms: | 34 |
| TPSA: | 177.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD11883
Formula: C4H9ON
Smiles:
CC(=O)N(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 87.12 | Num_heavy_atoms: | 6 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
AD19521
Formula: C5H9ON
Smiles:
CC(=O)NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
