Glycoside

GD121240
Name:
1,7,7,11,16,20,20-heptamethyl-19-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}pentacyclo[13.8.0.0³,¹².0â¶,¹¹.0¹â¶,²¹]tricos-3-en-8-yl acetateFormula:
C43H66O10Smiles:
CC(=O)OC1COC(OC2CCC3(C)C4CCC5C(=CCC6C(C)(C)C(OC(C)=O)CCC56C)CC4(C)CCC3C2(C)C)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)CC3=CCC2C1(C)CSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 0 | FractionCSP3: | 0.86 |
AlogP: | 7.89 | Num_rotatable_bonds: | 6 |
MolWt: | 742.99 | Num_heavy_atoms: | 53 |
TPSA: | 123.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD48781
Formula: C32H52O3
Smiles:
CC(=O)OC1CCC2(C)C3CCC4C(C)(CCC5C(C)(C)C(O)CCC45C)CC3=CCC2C1(C)CHBA: | 3 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.91 |
AlogP: | 7.71 | Num_rotatable_bonds: | 1 |
MolWt: | 484.77 | Num_heavy_atoms: | 35 |
TPSA: | 46.53 | NumAromaticRings: | 0 |