Glycoside
GD132101
Name:
(3,4,5-trihydroxy-6-{[6-(hydroxymethyl)-2-oxo-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-8-yl]oxy}oxan-2-yl)methyl acetateFormula:
C18H22O11Smiles:
CC(=O)OCC1OC(OC2OC=C3C(=O)OC4C=C(CO)C2C34)C(O)C(O)C1OAglycone:
COC(C)=O.O=C1OC2C=C(CO)C3C(O)OC=C1C23Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.36 | Num_heavy_atoms: | 29 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
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 |
AD14606
Formula: C10H10O5
Smiles:
O=C1OC2C=C(CO)C3C(O)OC=C1C23| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
