Glycoside
...
GD128653

Name:
[3,4,5-tris(acetyloxy)-6-{[1-(5-ethyl-6-methylheptan-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 hexadecanoate

Formula:
C57H96O10

Smiles:
CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(CC)C(C)C)CCC43)C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CCC(CCC(C)C1CCC2C3CC=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: 10 RingCount: 5
HBD: 0 FractionCSP3: 0.89
AlogP: 13.59 Num_rotatable_bonds: 27
MolWt: 941.38 Num_heavy_atoms: 67
TPSA: 123.66 NumAromaticRings: 0

Unique Aglycone
AD01460
Formula: C29H50O

Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 1 RingCount: 4
HBD: 1 FractionCSP3: 0.93
AlogP: 8.02 Num_rotatable_bonds: 6
MolWt: 414.72 Num_heavy_atoms: 30
TPSA: 20.23 NumAromaticRings: 0
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

Sugarmoiety
SD00012

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