Glycoside
GD085444
Name:
N-[(3,4-dihydroxy-5-{2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}oxolan-2-yl)methyl]-4-methylbenzamideFormula:
C21H30O6N2Smiles:
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)c2ccc(C)cc2)[C@@H](O)[C@H]1OAglycone:
CNC(=O)c1ccc(C)cc1.COCC1CCCN1C(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 406.48 | Num_heavy_atoms: | 29 |
| TPSA: | 108.33 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD23210
Formula: C8H15O2N
Smiles:
COCC1CCCN1C(C)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.88 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.21 | Num_heavy_atoms: | 11 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
