Glycoside
GD123760
Name:
2-({4-[4-(4-hydroxy-3,5-dimethoxycyclohexa-1,5-dien-1-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxycyclohexa-2,4-dien-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C28H40O13Smiles:
COC1=CC(C2OCC3C(C4=CC(OC)C(OC5OC(CO)C(O)C(O)C5O)C(OC)=C4)OCC23)=CC(OC)C1OAglycone:
COC1=CC(C2OCC3C(C4=CC(OC)C(O)C(OC)=C4)OCC23)=CC(OC)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.62 | Num_heavy_atoms: | 41 |
| TPSA: | 174.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD49961
Formula: C22H30O8
Smiles:
COC1=CC(C2OCC3C(C4=CC(OC)C(O)C(OC)=C4)OCC23)=CC(OC)C1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.47 | Num_heavy_atoms: | 30 |
| TPSA: | 95.84 | NumAromaticRings: | 0 |
