Glycoside
GD128444
Name:
[3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-3-yl)oxy]oxan-2-yl}methoxy)oxolan-3-yl]methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C31H34O16Smiles:
COc1cc(C=CC(=O)OCC2(O)COC(OCC3OC(Oc4cc5ccccc5oc4=O)C(O)C(O)C3O)C2O)cc(OC)c1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.O=c1oc2ccccc2cc1OSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 11 |
| MolWt: | 662.6 | Num_heavy_atoms: | 47 |
| TPSA: | 233.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD03982
Formula: C12H14O5
Smiles:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD47064
Formula: C9H6O3
Smiles:
O=c1oc2ccccc2cc1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 12 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
