Glycoside
GD149769
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-methoxybenzoateFormula:
C44H42O17Smiles:
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)ccc1OAglycone:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4O)c3OC2c2ccc(O)cc2)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 10 | FractionCSP3: | 0.3 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 842.8 | Num_heavy_atoms: | 61 |
| TPSA: | 274.75 | NumAromaticRings: | 5 |
Unique Aglycone
AD59872
Formula: C38H32O13
Smiles:
COc1cc(C(=O)OC2Cc3c(O)cc(O)c(C4c5c(O)cc(O)cc5OC(c5ccc(O)cc5)C4O)c3OC2c2ccc(O)cc2)ccc1O| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.18 |
| AlogP: | 5.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 696.66 | Num_heavy_atoms: | 51 |
| TPSA: | 215.83 | NumAromaticRings: | 5 |
