Glycoside
GD130782
Name:
1,4-bis[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl] 3-hydroxy-2-(2-methylpropyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanedioateFormula:
C40H56O23Smiles:
CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)C(O)C(=O)OCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
Cc1ccc(O)cc1.Cc1ccc(O)cc1Sugarmoiety:
CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OO)C(O)C(=O)OO.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.65 |
| AlogP: | -5.21 | Num_rotatable_bonds: | 18 |
| MolWt: | 904.87 | Num_heavy_atoms: | 63 |
| TPSA: | 370.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
Sugarmoiety
SD07273
CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OO)C(O)C(=O)OO.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O