Glycoside
GD135633
Name:
2-{[1,4a-dimethyl-7-(prop-1-en-2-yl)-decahydronaphthalen-1-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl 2-methylbutanoateFormula:
C26H44O6Smiles:
C=C(C)C1CCC2(C)CCCC(C)(OC3OC(C)C(O)C(O)C3OC(=O)C(C)CC)C2C1Aglycone:
C=C(C)C1CCC2(C)CCCC(C)(O)C2C1.CCC(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 4.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.63 | Num_heavy_atoms: | 32 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD45035
Formula: C15H26O
Smiles:
C=C(C)C1CCC2(C)CCCC(C)(O)C2C1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 3.92 | Num_rotatable_bonds: | 1 |
| MolWt: | 222.37 | Num_heavy_atoms: | 16 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
