Glycoside
GD106046
Name:
NoneFormula:
C23H37O10N3Smiles:
COCC(=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)NC1CC1.CC(=O)NC1CC1.COCC(=O)N(C)CSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -3.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 515.56 | Num_heavy_atoms: | 36 |
| TPSA: | 187.12 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD44101
Formula: C5H11O2N
Smiles:
COCC(=O)N(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
