Glycoside
...
GD021809

Name:
None

Formula:
C58H106O17N2

Smiles:
CCCCCCCCCCC[C@H](O)CC(=O)NC1C(OCC2OC(CC(=O)O)C(NC(C)=O)C(OC(=O)C[C@H](O)CCCCCCCCCCC)C2O)OC(CO)C(O)C1OC(=O)C[C@H](O)CCCCCCCCCCC

Aglycone:
CCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(CC(=O)O)C1NC(C)=O.CCCCCCCCCCCC(O)CC(N)=O

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

Other Identifiers

Properties
HBA: 19 RingCount: 2
HBD: 9 FractionCSP3: 0.91
AlogP: 7.51 Num_rotatable_bonds: 46
MolWt: 1103.48 Num_heavy_atoms: 77
TPSA: 297.17 NumAromaticRings: 0

Unique Aglycone
AD00507
Formula: C14H28O3

Smiles:
CCCCCCCCCCCC(O)CC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.93
AlogP: 3.74 Num_rotatable_bonds: 12
MolWt: 244.37 Num_heavy_atoms: 17
TPSA: 57.53 NumAromaticRings: 0
AD00508
Formula: C14H29O2N

Smiles:
CCCCCCCCCCCC(O)CC(N)=O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.93
AlogP: 3.14 Num_rotatable_bonds: 12
MolWt: 243.39 Num_heavy_atoms: 17
TPSA: 63.32 NumAromaticRings: 0
AD14853
Formula: C24H43O9N

Smiles:
CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(CC(=O)O)C1NC(C)=O
HBA: 10 RingCount: 1
HBD: 5 FractionCSP3: 0.88
AlogP: 1.67 Num_rotatable_bonds: 17
MolWt: 489.61 Num_heavy_atoms: 34
TPSA: 162.62 NumAromaticRings: 0

Sugarmoiety
SD00003

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