Glycoside
GD146296
Name:
[3,4,5-tris(acetyloxy)-6-{4-[(2-hydroxyethyl)carbamoyl]-2-methoxyphenoxy}oxan-2-yl]methyl acetateFormula:
C24H31O13NSmiles:
COc1cc(C(O)=NCCO)ccc1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.COc1cc(C(O)=NCCO)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 541.51 | Num_heavy_atoms: | 38 |
| TPSA: | 185.71 | 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 |
AD58677
Formula: C10H13O4N
Smiles:
COc1cc(C(O)=NCCO)ccc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 211.22 | Num_heavy_atoms: | 15 |
| TPSA: | 82.28 | NumAromaticRings: | 1 |
