Glycoside
GD157076
Name:
5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C19H33O14NSmiles:
OCC1=CC(NC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
NC1C=C(CO)C(O)C(O)C1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.89 |
| AlogP: | -7.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 499.47 | Num_heavy_atoms: | 34 |
| TPSA: | 262.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD02201
Formula: C7H13O4N
Smiles:
NC1C=C(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.18 | Num_heavy_atoms: | 12 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
