Glycoside
GD153123
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-3,5-dimethoxybenzoateFormula:
C45H44O19Smiles:
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)cc(OC)c1OAglycone:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4O)c3OC2c2ccc(O)c(O)c2)cc(OC)c1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.31 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 888.83 | Num_heavy_atoms: | 64 |
| TPSA: | 304.21 | NumAromaticRings: | 5 |
Unique Aglycone
AD60926
Formula: C39H34O15
Smiles:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4O)c3OC2c2ccc(O)c(O)c2)cc(OC)c1O| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.21 |
| AlogP: | 4.88 | Num_rotatable_bonds: | 7 |
| MolWt: | 742.69 | Num_heavy_atoms: | 54 |
| TPSA: | 245.29 | NumAromaticRings: | 5 |
