Glycoside
GD155250
Name:
[2-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4-hydroxy-5-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C43H46O20Smiles:
COc1cc(C=CC(=O)OCC2OC(COC(=O)C=Cc3ccc(O)c(OC)c3)(OC3OC(COC(C)=O)C(O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)cc3)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COC(=O)C=Cc1ccc(O)c(OC)c1.COC(C)=O.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 17 |
| MolWt: | 882.82 | Num_heavy_atoms: | 63 |
| TPSA: | 292.96 | NumAromaticRings: | 3 |
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 |
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
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 |
