Glycoside
GD122573
Name:
(3,4,5-trihydroxy-6-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}oxan-2-yl)methyl 2-hydroxy-5-methoxybenzoateFormula:
C36H44O16Smiles:
COc1ccc(O)c(C(=O)OCC2OC(OCC3C(CO)Cc4cc(OC)c(O)c(OC)c4C3c3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)c1Aglycone:
COC(=O)c1cc(OC)ccc1O.COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 13 |
| MolWt: | 732.73 | Num_heavy_atoms: | 52 |
| TPSA: | 232.52 | NumAromaticRings: | 3 |
Unique Aglycone
AD01165
Formula: C22H28O8
Smiles:
COc1cc(C2c3c(cc(OC)c(O)c3OC)CC(CO)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
AD47127
Formula: C9H10O4
Smiles:
COC(=O)c1cc(OC)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.18 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
