Glycoside
GD115927
Name:
4-(acetyloxy)-2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acidFormula:
C25H41O20NSmiles:
CC(=O)OC1CC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)(C(=O)O)OC(C(O)C(O)CO)C1N=C(C)OAglycone:
CC(=O)OC1CC(O)(C(=O)O)OC(C(O)C(O)CO)C1N=C(C)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.88 |
| AlogP: | -6.81 | Num_rotatable_bonds: | 12 |
| MolWt: | 675.59 | Num_heavy_atoms: | 46 |
| TPSA: | 344.64 | NumAromaticRings: | 0 |
Unique Aglycone
AD45942
Formula: C13H21O10N
Smiles:
CC(=O)OC1CC(O)(C(=O)O)OC(C(O)C(O)CO)C1N=C(C)O| HBA: | 11 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 351.31 | Num_heavy_atoms: | 24 |
| TPSA: | 186.34 | NumAromaticRings: | 0 |
