Glycoside
GD150586
Name:
2-(hydroxymethyl)-6-[5-methyl-2-(6-methylhept-5-en-2-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxane-3,4,5-triolFormula:
C27H42O12Smiles:
CC(C)=CCCC(C)c1cc(OC2OC(CO)C(O)C(O)C2O)c(C)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCCC(C)c1cc(O)c(C)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 558.62 | Num_heavy_atoms: | 39 |
| TPSA: | 198.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD60136
Formula: C15H22O2
Smiles:
CC(C)=CCCC(C)c1cc(O)c(C)cc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
