Glycoside
...
GD119237

Name:
None

Formula:
C56H106O21N2S

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(OS(=O)(=O)O)C(N=C(C)O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCC(C)C

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCC(C)C.COC1(C(=O)O)CC(OS(=O)(=O)O)C(N=C(C)O)C(C(O)C(O)CO)O1

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

Other Identifiers

Properties
HBA: 23 RingCount: 2
HBD: 13 FractionCSP3: 0.95
AlogP: 6.04 Num_rotatable_bonds: 47
MolWt: 1175.52 Num_heavy_atoms: 80
TPSA: 385.07 NumAromaticRings: 0

Unique Aglycone
AD47736
Formula: C39H79O5N

Smiles:
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCC(C)C
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.97
AlogP: 10.38 Num_rotatable_bonds: 35
MolWt: 642.06 Num_heavy_atoms: 45
TPSA: 113.51 NumAromaticRings: 0
AD47737
Formula: C12H21O12NS

Smiles:
COC1(C(=O)O)CC(OS(=O)(=O)O)C(N=C(C)O)C(C(O)C(O)CO)O1
HBA: 13 RingCount: 1
HBD: 6 FractionCSP3: 0.83
AlogP: -2.55 Num_rotatable_bonds: 8
MolWt: 403.36 Num_heavy_atoms: 26
TPSA: 212.64 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O