Glycoside
...
GD155680

Name:
None

Formula:
C60H113O21N

Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(=O)C(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1O)C(O)C(O)CCCCCCCCCCCCCC

Aglycone:
CCCCCCCCCCCCCCC(O)C(O)C([NH])CO.CCCCCCCCCCCCCCCCCCCC

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.O=C(CO)C(O)CO

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 14 FractionCSP3: 0.97
AlogP: 4.34 Num_rotatable_bonds: 47
MolWt: 1184.55 Num_heavy_atoms: 82
TPSA: 368.03 NumAromaticRings: 0

Unique Aglycone
AD08539
Formula: C20H42

Smiles:
CCCCCCCCCCCCCCCCCCCC
HBA: 0 RingCount: 0
HBD: 0 FractionCSP3: 1.0
AlogP: 8.05 Num_rotatable_bonds: 17
MolWt: 282.56 Num_heavy_atoms: 20
TPSA: 0.0 NumAromaticRings: 0
AD20531
Formula: C18H38O3N

Smiles:
CCCCCCCCCCCCCCC(O)C(O)C([NH])CO
HBA: 4 RingCount: 0
HBD: 4 FractionCSP3: 1.0
AlogP: 3.44 Num_rotatable_bonds: 16
MolWt: 316.51 Num_heavy_atoms: 22
TPSA: 84.49 NumAromaticRings: 0

Sugarmoiety
SD04617

CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.O=C(CO)C(O)CO