Glycoside
...
GD151181

Name:
None

Formula:
C98H173O48N5

Smiles:
CCCCCCCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(OC4(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(CO)OC5OC(CO)C(OC6(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O6)C(OC6(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O6)C5O)O4)C3N=C(C)O)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC(C)C

Aglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C

Sugarmoiety:
CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 53 RingCount: 7
HBD: 31 FractionCSP3: 0.92
AlogP: -2.27 Num_rotatable_bonds: 69
MolWt: 2189.45 Num_heavy_atoms: 151
TPSA: 869.36 NumAromaticRings: 0

Unique Aglycone
AD44972
Formula: C11H19O9N

Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 10 RingCount: 1
HBD: 7 FractionCSP3: 0.82
AlogP: -3.03 Num_rotatable_bonds: 5
MolWt: 309.27 Num_heavy_atoms: 21
TPSA: 180.27 NumAromaticRings: 0
AD60319
Formula: C39H79O4N

Smiles:
CCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C
HBA: 5 RingCount: 0
HBD: 4 FractionCSP3: 0.97
AlogP: 11.4 Num_rotatable_bonds: 35
MolWt: 626.06 Num_heavy_atoms: 44
TPSA: 93.28 NumAromaticRings: 0

Sugarmoiety
SD04663

CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O