Glycoside
...
GD146446

Name:
Ggl.3

Formula:
C47H86O16

Smiles:
CC(=O)OCC1OC(OC2C(O)C(COC(=O)CCCCCCCCCCCC(C)C)OC(OCC(O)COC(=O)CCCCCCCCCCCC(C)C)C2O)C(O)C(O)C1O

Aglycone:
CC(C)CCCCCCCCCCCC(=O)OCC(O)CO.COC(=O)CCCCCCCCCCCC(C)C.COC(C)=O

Sugarmoiety:
OC(O)COC(O)C(O)C(O)OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 2
HBD: 6 FractionCSP3: 0.94
AlogP: 5.55 Num_rotatable_bonds: 35
MolWt: 907.19 Num_heavy_atoms: 63
TPSA: 237.2 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD24679
Formula: C16H32O2

Smiles:
COC(=O)CCCCCCCCCCCC(C)C
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.94
AlogP: 5.11 Num_rotatable_bonds: 12
MolWt: 256.43 Num_heavy_atoms: 18
TPSA: 26.3 NumAromaticRings: 0
AD58501
Formula: C18H36O4

Smiles:
CC(C)CCCCCCCCCCCC(=O)OCC(O)CO
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.94
AlogP: 3.83 Num_rotatable_bonds: 15
MolWt: 316.48 Num_heavy_atoms: 22
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD09331

OC(O)COC(O)C(O)C(O)OC1OC(O)C(O)C(O)C1O