Glycoside
...
GD124868

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

Formula:
C51H90O8

Smiles:
CCCCCCCCCCCCCCCC(=O)OC1C(OC2CCC3(C)C(=CC(O)C4C3CCC3(C)C(C(C)CCC(CC)C(C)C)CCC43)C2)OC(CO)C(O)C1O

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

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

Other Identifiers

Properties
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.94
AlogP: 10.85 Num_rotatable_bonds: 24
MolWt: 831.27 Num_heavy_atoms: 59
TPSA: 125.68 NumAromaticRings: 0

Unique Aglycone
AD00263
Formula: C16H32O2

Smiles:
CCCCCCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.94
AlogP: 5.55 Num_rotatable_bonds: 14
MolWt: 256.43 Num_heavy_atoms: 18
TPSA: 37.3 NumAromaticRings: 0
AD16368
Formula: C29H50O2

Smiles:
CCC(CCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)C
HBA: 2 RingCount: 4
HBD: 2 FractionCSP3: 0.93
AlogP: 7.0 Num_rotatable_bonds: 6
MolWt: 430.72 Num_heavy_atoms: 31
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD00003

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