Glycoside
GD117458
Name:
[3-({6-[(acetyloxy)methyl]-3-acetamido-4,5-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxan-2-yl]methyl acetateFormula:
C24H39O17NSmiles:
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC3C(O)OC(C)C(O)C3O)C(O)C2O)C(N=C(C)O)C(O)C1OAglycone:
COC(C)=O.COC(C)=OSugarmoiety:
CC(O)=NC1C(OC2C(O)OC(OC3C(O)OC(C)C(O)C3O)C(O)C2O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.88 |
| AlogP: | -4.42 | Num_rotatable_bonds: | 9 |
| MolWt: | 613.57 | Num_heavy_atoms: | 42 |
| TPSA: | 272.95 | 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 |
