Glycoside
GD140898
Name:
2-[(2-{[6-({2-[(2,3-dihydroxypropoxy)methyl]-3,5-dihydroxy-6-methyloxan-4-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C36H62O28Smiles:
CC(=O)OC1C(O)C(CO)OC(OC2C(OC3C(CO)OC(OC4C(O)C(C)OC(COCC(O)CO)C4O)C(O)C3O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OAglycone:
COCC(O)COSugarmoiety:
CC(=O)OC1C(O)C(CO)OC(OC2C(OC3C(CO)OC(OC4C(O)C(C)OC(O)C4O)C(O)C3O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 5 |
| HBD: | 16 | FractionCSP3: | 0.97 |
| AlogP: | -10.91 | Num_rotatable_bonds: | 18 |
| MolWt: | 942.86 | Num_heavy_atoms: | 64 |
| TPSA: | 442.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00404
Formula: C4H10O3
Smiles:
COCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 106.12 | Num_heavy_atoms: | 7 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
Sugarmoiety
SD08633
CC(=O)OC1C(O)C(CO)OC(OC2C(OC3C(CO)OC(OC4C(O)C(C)OC(O)C4O)C(O)C3O)OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O