Glycoside
GD140466
Name:
{3,4,5-trihydroxy-6-[(2-oxooxolan-3-yl)methoxy]oxan-2-yl}methyl 3,4-dihydroxybenzoateFormula:
C18H22O11Smiles:
O=C(OCC1OC(OCC2CCOC2=O)C(O)C(O)C1O)c1ccc(O)c(O)c1Aglycone:
COC(=O)c1ccc(O)c(O)c1.O=C1OCCC1COSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.36 | Num_heavy_atoms: | 29 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD13436
Formula: C8H8O4
Smiles:
COC(=O)c1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD56640
Formula: C5H8O3
Smiles:
O=C1OCCC1CO| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.12 | Num_heavy_atoms: | 8 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
