Glycoside
GD131132
Name:
[3,4,5-tris(acetyloxy)-6-{[1-(5-ethyl-6-methylhept-6-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}oxan-2-yl]methyl acetateFormula:
C43H66O10Smiles:
C=C(C)C(CC)CCC(C)C1CCC2C3CC=C4CC(OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5OC(C)=O)CCC4(C)C3CCC12CAglycone:
C=C(C)C(CC)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.81 |
| AlogP: | 8.05 | Num_rotatable_bonds: | 13 |
| MolWt: | 742.99 | Num_heavy_atoms: | 53 |
| TPSA: | 123.66 | 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 |
AD48319
Formula: C29H48O
Smiles:
C=C(C)C(CC)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
