Glycoside
GD131530
Name:
N,N-bis[(3,4-dihydroxy-5-{[(propan-2-yl)carbamoyl]methyl}oxolan-2-yl)methyl]acetamideFormula:
C22H39O9N3Smiles:
CC(=O)N(CC1OC(CC(O)=NC(C)C)C(O)C1O)CC1OC(CC(O)=NC(C)C)C(O)C1OAglycone:
CC(=O)N(C)C.CC(O)=NC(C)C.CC(O)=NC(C)CSugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 10 |
| MolWt: | 489.57 | Num_heavy_atoms: | 34 |
| TPSA: | 184.87 | 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 |
AD45654
Formula: C5H11ON
Smiles:
CC(O)=NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
