Glycoside
GD140581
Name:
1,3-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 2-(4-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl 2-hydroxypropane-1,2,3-tricarboxylateFormula:
C51H66O30Smiles:
O=C(CC(O)(CC(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(=O)OCc1ccc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc1)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
O=C(CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1)OCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.59 |
| AlogP: | -6.91 | Num_rotatable_bonds: | 23 |
| MolWt: | 1159.06 | Num_heavy_atoms: | 81 |
| TPSA: | 476.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD56682
Formula: C27H26O10
Smiles:
O=C(CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1)OCc1ccc(O)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.22 |
| AlogP: | 2.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.5 | Num_heavy_atoms: | 37 |
| TPSA: | 159.82 | NumAromaticRings: | 3 |
Sugarmoiety
SD04837
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O