Glycoside
GD120911
Name:
2-[(4,5-dihydroxy-2-{[5-(3-hydroxy-3-methylpent-4-en-1-yl)-1,1,4a-trimethyl-6-methylidene-decahydronaphthalen-2-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C32H54O11Smiles:
C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CCC12CAglycone:
C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)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
AD48621
Formula: C20H34O2
Smiles:
C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C| 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 |
