Glycoside
GD128026
Name:
7-[(3,7,11-trimethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}dodeca-2,6-dien-1-yl)oxy]-2H-chromen-2-oneFormula:
C42H62O20Smiles:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CCC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(C)(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCOc1ccc2ccc(=O)oc2c1)CCC=C(C)CCC(O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.69 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 19 |
| MolWt: | 886.94 | Num_heavy_atoms: | 62 |
| TPSA: | 317.35 | 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 |
