Glycoside
GD131733
Name:
(3,4,5-trihydroxy-6-{[6-hydroxy-3-methyl-7-methylidene-10-(propan-2-yl)cyclodec-2-en-1-yl]oxy}oxan-2-yl)methyl acetateFormula:
C23H38O8Smiles:
C=C1CCC(C(C)C)C(OC2OC(COC(C)=O)C(O)C(O)C2O)C=C(C)CCC1OAglycone:
C=C1CCC(C(C)C)C(O)C=C(C)CCC1O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 442.55 | Num_heavy_atoms: | 31 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD53355
Formula: C15H26O2
Smiles:
C=C1CCC(C(C)C)C(O)C=C(C)CCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 238.37 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
