Glycoside
GD133690
Name:
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4a,5,6,7,8-hexahydronaphthalen-2-oneFormula:
C21H32O8Smiles:
CC1=C2CC(C(C)(C)O)CCC2(C)C(OC2OC(CO)C(O)C(O)C2O)=CC1=OAglycone:
CC1=C2CC(C(C)(C)O)CCC2(C)C(O)=CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54094
Formula: C15H22O3
Smiles:
CC1=C2CC(C(C)(C)O)CCC2(C)C(O)=CC1=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
