Glycoside
GD123888
Name:
2-({2-[(acetyloxy)methyl]-5-acetamido-3-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxyoxan-4-yl}oxy)propanoic acidFormula:
C21H34O14N2Smiles:
CC(=O)OCC1OC(O)C(N=C(C)O)C(OC(C)C(=O)O)C1OC1OC(CO)C(O)C(O)C1N=C(C)OAglycone:
CC(O)C(=O)O.COC(C)=OSugarmoiety:
CC(O)=NC1C(O)OC(O)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 538.5 | Num_heavy_atoms: | 37 |
| TPSA: | 246.62 | 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 |
AD00056
Formula: C3H6O3
Smiles:
CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
