Glycoside
GD141017
Name:
4,5-dihydroxy-2-({3,4,5-trihydroxy-6-[(3,5,8-trihydroxy-9-oxo-9H-xanthen-1-yl)oxy]oxan-2-yl}methoxy)oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C34H34O18Smiles:
COc1cc(C=CC(=O)OC2C(OCC3OC(Oc4cc(O)cc5oc6c(O)ccc(O)c6c(=O)c45)C(O)C(O)C3O)OCC(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 730.63 | Num_heavy_atoms: | 52 |
| TPSA: | 284.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD16927
Formula: C13H8O6
Smiles:
O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.2 | Num_heavy_atoms: | 19 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
