Glycoside
GD145399
Name:
4,5-dihydroxy-2-({3,4,5-trihydroxy-6-[(8-hydroxy-3,7-dimethoxy-9-oxo-9H-xanthen-1-yl)oxy]oxan-2-yl}methoxy)oxan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C37H40O19Smiles:
COc1cc(OC2OC(COC3OCC(O)C(O)C3OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)c2c(=O)c3c(O)c(OC)ccc3oc2c1Aglycone:
COc1cc(C=CC(=O)O)cc(OC)c1O.COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 788.71 | Num_heavy_atoms: | 56 |
| TPSA: | 271.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD03983
Formula: C11H12O5
Smiles:
COc1cc(C=CC(=O)O)cc(OC)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
AD14618
Formula: C15H12O6
Smiles:
COc1cc(O)c2c(=O)c3c(O)c(OC)ccc3oc2c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
