Glycoside
GD115471
Name:
(6-{[2,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-3-yl]oxy}-3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)methyl acetateFormula:
C26H41O18NSmiles:
CC(=O)OCC1OC(OC2C(OC(C)=O)OC(C)C(OC(C)=O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1N=C(C)OAglycone:
COC(C)=OSugarmoiety:
CC(=O)OC1OC(C)C(OC(C)=O)C(O)C1OC1OC(O)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 655.6 | Num_heavy_atoms: | 45 |
| TPSA: | 279.02 | NumAromaticRings: | 0 |
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 |
