Glycoside
...
GD126224

Name:
1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl hexadecanoate

Formula:
C51H90O8

Smiles:
CCCCCCCCCCCCCCCC(=O)OC1=C2CC(OC3OC(CO)C(O)C(O)C3O)CCC2(C)C2CCC3(C)C(C(C)CCC(CC)C(C)C)CCC3C2C1

Aglycone:
CCCCCCCCCCCCCCCC(=O)OC1=C2CC(O)CCC2(C)C2CCC3(C)C(C(C)CCC(CC)C(C)C)CCC3C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.94
AlogP: 11.2 Num_rotatable_bonds: 24
MolWt: 831.27 Num_heavy_atoms: 59
TPSA: 125.68 NumAromaticRings: 0

Unique Aglycone
AD51059
Formula: C45H80O3

Smiles:
CCCCCCCCCCCCCCCC(=O)OC1=C2CC(O)CCC2(C)C2CCC3(C)C(C(C)CCC(CC)C(C)C)CCC3C2C1
HBA: 3 RingCount: 4
HBD: 1 FractionCSP3: 0.93
AlogP: 13.38 Num_rotatable_bonds: 21
MolWt: 669.13 Num_heavy_atoms: 48
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O