Glycoside
GD131618
Name:
4,5-dihydroxy-6-methyl-2-{[1-methyl-7-methylidene-8-oxo-4-(propan-2-yl)cyclodec-2-en-1-yl]oxy}oxan-3-yl 2-methylbut-2-enoateFormula:
C26H40O7Smiles:
C=C1CCC(C(C)C)C=CC(C)(OC2OC(C)C(O)C(O)C2OC(=O)C(C)=CC)CCC1=OAglycone:
C=C1CCC(C(C)C)C=CC(C)(O)CCC1=O.CC=C(C)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 464.6 | Num_heavy_atoms: | 33 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00342
Formula: C5H8O2
Smiles:
CC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 100.12 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD21927
Formula: C15H24O2
Smiles:
C=C1CCC(C(C)C)C=CC(C)(O)CCC1=O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
