Glycoside
GD051235
Name:
methyl 2-(3,4-dihydroxy-5-{[(4-methylphenyl)formamido]methyl}oxolan-2-yl)acetateFormula:
C16H21O6NSmiles:
COC(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1OAglycone:
CNC(=O)c1ccc(C)cc1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 323.35 | Num_heavy_atoms: | 23 |
| TPSA: | 105.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD21339
Formula: C9H11ON
Smiles:
CNC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
