Glycoside
GD128508
Name:
2-{[9,14-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-(propan-2-yl)tricyclo[9.3.0.0³,â·]tetradeca-1,6-dien-8-yl]oxy}-6-(methoxymethyl)-5-[(3-methylbut-1-en-1-yl)oxy]oxane-3,4-diolFormula:
C33H54O9Smiles:
COCC1OC(OC2C3=C(C(C)C)CCC3(C)C=C3C(CCC3(O)COC)C(C)C2O)C(O)C(O)C1OC=CC(C)CAglycone:
CC(C)C=CO.COCC1(O)CCC2C1=CC1(C)CCC(C(C)C)=C1C(O)C(O)C2CSugarmoiety:
COCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 594.79 | Num_heavy_atoms: | 42 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD52052
Formula: C5H10O
Smiles:
CC(C)C=CO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 86.13 | Num_heavy_atoms: | 6 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD52053
Formula: C21H34O4
Smiles:
COCC1(O)CCC2C1=CC1(C)CCC(C(C)C)=C1C(O)C(O)C2C| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 350.5 | Num_heavy_atoms: | 25 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
