Glycoside

GD131698
Name:
N-[4,5-bis(acetyloxy)-2-{[4-(acetyloxy)-6-(benzyloxy)-3-hydroxy-5-[(1-hydroxyethylidene)amino]oxan-2-yl]methoxy}-6-[(acetyloxy)methyl]oxan-3-yl]ethanimidic acidFormula:
C31H42O15N2Smiles:
CC(=O)OCC1OC(OCC2OC(OCc3ccccc3)C(N=C(C)O)C(OC(C)=O)C2O)C(N=C(C)O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)C(COC2OC(O)C(OC(C)=O)C(OC(C)=O)C2N=C(C)O)OC(O)C1N=C(C)OOther Identifiers
Properties
HBA: | 17 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.61 |
AlogP: | 1.08 | Num_rotatable_bonds: | 13 |
MolWt: | 682.68 | Num_heavy_atoms: | 48 |
TPSA: | 227.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 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 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1HBA: | 1 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.14 |
AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
MolWt: | 108.14 | Num_heavy_atoms: | 8 |
TPSA: | 20.23 | NumAromaticRings: | 1 |