Glycoside
GD123340
Name:
2-{[3-(6-hydroxy-4,5-dimethoxycyclohex-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C23H32O10Smiles:
COC1C=CC(C2COc3cc(OC4OC(CO)C(O)C(O)C4O)ccc3C2)C(O)C1OCAglycone:
COC1C=CC(C2COc3cc(O)ccc3C2)C(O)C1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.5 | Num_heavy_atoms: | 33 |
| TPSA: | 147.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD49765
Formula: C17H22O5
Smiles:
COC1C=CC(C2COc3cc(O)ccc3C2)C(O)C1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.36 | Num_heavy_atoms: | 22 |
| TPSA: | 68.15 | NumAromaticRings: | 1 |
