Glycoside
GD142046
Name:
(3,4,5-trihydroxy-6-{[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methoxy}oxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C37H44O15Smiles:
COc1cc(C=CC(=O)OCC2OC(OCC3C(Cc4ccc(O)c(OC)c4)COC3c3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)ccc1OSugarmoiety:
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
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD21025
Formula: C21H26O7
Smiles:
COc1cc(CC2COC(c3cc(OC)c(O)c(OC)c3)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
