Glycoside
GD157215
Name:
{5-[(acetyloxy)methyl]-5-{[3,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-4-hydroxyoxan-2-yl]oxy}-3-hydroxy-4-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl}methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C41H48O22Smiles:
COc1cc(C=CC(=O)OC2C(O)C(COC(=O)C=Cc3cc(OC)c(O)c(OC)c3)OC2(COC(C)=O)OC2OC(COC(C)=O)C(OC(C)=O)C(O)C2OC(C)=O)ccc1OAglycone:
COC(=O)C=Cc1cc(OC)c(O)c(OC)c1.COC(C)=O.COC(C)=O.COc1cc(C=CC(=O)O)ccc1OSugarmoiety:
CC(=O)OC1C(O)OC(OC2(O)OC(O)C(O)C2O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 0.85 | Num_rotatable_bonds: | 18 |
| MolWt: | 892.81 | Num_heavy_atoms: | 63 |
| TPSA: | 294.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
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 |
