Glycoside
GD127769
Name:
5-hydroxy-2-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C31H38O14Smiles:
COc1cc(C=CC(=O)OC2C(CO)OC(OCC=Cc3ccc(O)cc3)C(O)C2OC2OC(C)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.OCC=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 634.63 | Num_heavy_atoms: | 45 |
| TPSA: | 214.06 | NumAromaticRings: | 2 |
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 |
AD16632
Formula: C9H10O2
Smiles:
OCC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
