Glycoside
GD122803
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]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C45H44O18Smiles:
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)cc2)cc(OC)c1OAglycone:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4O)c3OC2c2ccc(O)cc2)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.31 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 872.83 | Num_heavy_atoms: | 63 |
| TPSA: | 283.98 | NumAromaticRings: | 5 |
Unique Aglycone
AD49524
Formula: C39H34O14
Smiles:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4O)c3OC2c2ccc(O)cc2)cc(OC)c1O| HBA: | 14 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 726.69 | Num_heavy_atoms: | 53 |
| TPSA: | 225.06 | NumAromaticRings: | 5 |
