Glycoside
GD115445
Name:
2-[(4,5-dihydroxy-6-{[4-(3-hydroxy-3-methylpent-4-en-1-yl)-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]oxy}-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C32H54O11Smiles:
C=CC(C)(O)CCC1(C)C(C)CC(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C2(C)C(C)=CCCC12Aglycone:
C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 614.77 | Num_heavy_atoms: | 43 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD12492
Formula: C20H34O2
Smiles:
C=CC(C)(O)CCC1(C)C(C)CC(O)C2(C)C(C)=CCCC12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.49 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
