Glycoside
GD133584
Name:
7-[(10-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl)oxy]-2H-chromen-2-oneFormula:
C36H52O15Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CCC(OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(C)(C)OAglycone:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CCC(O)C(C)(C)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 16 |
| MolWt: | 724.8 | Num_heavy_atoms: | 51 |
| TPSA: | 238.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD51825
Formula: C24H32O5
Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CCC(O)C(C)(C)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 4.76 | Num_rotatable_bonds: | 10 |
| MolWt: | 400.52 | Num_heavy_atoms: | 29 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
