Glycoside
GD119072
Name:
2-{[2-hydroxy-3-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O13Smiles:
CC(C)=CCc1c(O)c(OC2OC(CO)C(O)C(O)C2O)c2ccccc2c1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(C)=CCc1c(O)c(O)c2ccccc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 8 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 218.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD47664
Formula: C15H16O3
Smiles:
CC(C)=CCc1c(O)c(O)c2ccccc2c1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.29 | Num_heavy_atoms: | 18 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
