Glycoside
GD129177
Name:
(3,4,5-trihydroxy-6-{[2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxan-2-yl)methyl 7-(hydroxymethyl)-3,11-dimethyldodecanoateFormula:
C37H52O12Smiles:
COc1ccc(C2CC(=O)c3ccc(OC4OC(COC(=O)CC(C)CCCC(CO)CCCC(C)C)C(O)C(O)C4O)cc3O2)cc1OAglycone:
COC(=O)CC(C)CCCC(CO)CCCC(C)C.COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 17 |
| MolWt: | 688.81 | Num_heavy_atoms: | 49 |
| TPSA: | 181.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00221
Formula: C16H32O3
Smiles:
COC(=O)CC(C)CCCC(CO)CCCC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 11 |
| MolWt: | 272.43 | Num_heavy_atoms: | 19 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD52326
Formula: C16H14O5
Smiles:
COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
