Glycoside
GD131082
Name:
(3,4,5-trihydroxy-6-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C37H44O15Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2COC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 14 |
| MolWt: | 728.74 | Num_heavy_atoms: | 52 |
| TPSA: | 212.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD10896
Formula: C22H28O8
Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)cc(OC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.46 | Num_heavy_atoms: | 30 |
| TPSA: | 106.84 | NumAromaticRings: | 2 |
