Glycoside
GD151693
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5-triolFormula:
C29H38O16Smiles:
COc1ccc(C2Oc3cc(OC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)cc(O)c3C(O)C2O)cc1OCAglycone:
COc1ccc(C2Oc3cc(O)cc(O)c3C(O)C2O)cc1OCSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 642.61 | Num_heavy_atoms: | 45 |
| TPSA: | 246.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD60467
Formula: C17H18O7
Smiles:
COc1ccc(C2Oc3cc(O)cc(O)c3C(O)C2O)cc1OC| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 334.32 | Num_heavy_atoms: | 24 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
