Glycoside
GD152473
Name:
[3,4,5-tris(acetyloxy)-6-{6,9-dimethylidene-3a,4,4',5,5',6,6a,7,8,9,9a,9b-dodecahydro-2H-spiro[azuleno[4,5-b]furan-3,3'-pyrazol]-2-oneoxy}oxan-2-yl]methyl acetateFormula:
C30H38O12N2Smiles:
C=C1CCC2C(OC(=O)C23CCN=N3)C2C(=C)C(OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)CC12Aglycone:
C=C1CCC2C(OC(=O)C23CCN=N3)C2C(=C)C(O)CC12.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.7 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 618.64 | Num_heavy_atoms: | 44 |
| TPSA: | 174.68 | 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 |
AD60706
Formula: C16H20O3N2
Smiles:
C=C1CCC2C(OC(=O)C23CCN=N3)C2C(=C)C(O)CC12| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 288.35 | Num_heavy_atoms: | 21 |
| TPSA: | 71.25 | NumAromaticRings: | 0 |
