Glycoside
GD115951
Name:
2-[(4-{[2,3-dihydroxy-5-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl]amino}-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H45O18NSmiles:
OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
OCC1=CC(NC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 15 | FractionCSP3: | 0.92 |
| AlogP: | -8.93 | Num_rotatable_bonds: | 10 |
| MolWt: | 659.64 | Num_heavy_atoms: | 45 |
| TPSA: | 332.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD15246
Formula: C14H25O8N
Smiles:
OCC1=CC(NC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -4.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.35 | Num_heavy_atoms: | 23 |
| TPSA: | 173.87 | NumAromaticRings: | 0 |
