Glycoside
GD138285
Name:
[3,4,5-tris(acetyloxy)-6-{[6-({4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxooxolan-3-yl}methyl)-2H-1,3-benzodioxol-5-yl]oxy}oxan-2-yl]methyl acetateFormula:
C34H36O16Smiles:
CC(=O)OCC1OC(Oc2cc3c(cc2CC2COC(=O)C2Cc2ccc4c(c2)OCO4)OCO3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=C1OCC(Cc2cc3c(cc2O)OCO3)C1Cc1ccc2c(c1)OCO2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 11 |
| MolWt: | 700.65 | Num_heavy_atoms: | 50 |
| TPSA: | 186.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD55836
Formula: C20H18O7
Smiles:
O=C1OCC(Cc2cc3c(cc2O)OCO3)C1Cc1ccc2c(c1)OCO2| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 83.45 | NumAromaticRings: | 2 |
