Glycoside
GD152210
Name:
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 4-hydroxy-3-methoxybenzoateFormula:
C44H42O18Smiles:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4OC4OC(C)C(O)C(O)C4O)c3OC2c2ccc(O)c(O)c2)ccc1OAglycone:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4O)c3OC2c2ccc(O)c(O)c2)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.3 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 8 |
| MolWt: | 858.8 | Num_heavy_atoms: | 62 |
| TPSA: | 294.98 | NumAromaticRings: | 5 |
Unique Aglycone
AD60626
Formula: C38H32O14
Smiles:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4O)c3OC2c2ccc(O)c(O)c2)ccc1O| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.18 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 712.66 | Num_heavy_atoms: | 52 |
| TPSA: | 236.06 | NumAromaticRings: | 5 |
