Glycoside
GD127527
Name:
4-{6-[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-5-hydroxy-7-methoxy-4-oxo-1,4-dihydronaphthalen-2-yl}phenyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C40H44O18Smiles:
COc1cc(C=CC(=O)Oc2ccc(C3=CC(=O)c4c(cc(OC)c(C5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)c4O)C3)cc2)cc(OC)c1OAglycone:
COc1cc(O)c2c(c1)CC(c1ccc(OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)cc1)=CC2=OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.4 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 12 |
| MolWt: | 812.77 | Num_heavy_atoms: | 58 |
| TPSA: | 280.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD51642
Formula: C28H24O8
Smiles:
COc1cc(O)c2c(c1)CC(c1ccc(OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)cc1)=CC2=O| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 488.49 | Num_heavy_atoms: | 36 |
| TPSA: | 111.52 | NumAromaticRings: | 3 |
