Glycoside
...
GD116934

Name:
[3,4,5-tris(acetyloxy)-6-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-4-oxo-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 hexadecanoate

Formula:
C57H92O11

Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CC(=O)C4C3CCC3(C)C(C(C)C=CC(CC)C(C)C)CCC43)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CCC(C=CC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCCCC(=O)OC

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 0 FractionCSP3: 0.84
AlogP: 12.55 Num_rotatable_bonds: 26
MolWt: 953.35 Num_heavy_atoms: 68
TPSA: 140.73 NumAromaticRings: 0

Unique Aglycone
AD03475
Formula: C17H34O2

Smiles:
CCCCCCCCCCCCCCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.94
AlogP: 5.64 Num_rotatable_bonds: 14
MolWt: 270.46 Num_heavy_atoms: 19
TPSA: 26.3 NumAromaticRings: 0
AD46514
Formula: C29H46O2

Smiles:
CCC(C=CC(C)C1CCC2C3C(=O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.83
AlogP: 6.98 Num_rotatable_bonds: 5
MolWt: 426.69 Num_heavy_atoms: 31
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O