Glycoside
GD141025
Name:
2-[(acetyloxy)methyl]-5-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6-({2-[(acetyloxy)methyl]-3-(benzoyloxy)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl}oxy)-4-hydroxyoxan-3-yl benzoateFormula:
C38H46O21Smiles:
CC(=O)OCC1OC(OC2C(OC3(COC(C)=O)OC(CO)C(O)C3OC(=O)c3ccccc3)OC(COC(C)=O)C(OC(=O)c3ccccc3)C2O)C(O)C(O)C1OAglycone:
COC(C)=O.COC(C)=O.COC(C)=O.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(O)(OC2OC(O)C(O)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -2.13 | Num_rotatable_bonds: | 15 |
| MolWt: | 838.77 | Num_heavy_atoms: | 59 |
| TPSA: | 299.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
