Glycoside
...
GD149143

Name:
None

Formula:
C74H136O31N2

Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(OC4CC(CO)C(OC5OC(C(C)O)C(O)C5O)C(O)C4O)C(N=C(C)O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C(O)CCCCCCCCCCCC

Aglycone:
CC(O)=NC1C(OC2CC(CO)C(O)C(O)C2O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC

Sugarmoiety:
CC(O)C1OC(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 5
HBD: 21 FractionCSP3: 0.96
AlogP: 1.13 Num_rotatable_bonds: 54
MolWt: 1549.89 Num_heavy_atoms: 107
TPSA: 549.69 NumAromaticRings: 0

Unique Aglycone
AD45101
Formula: C38H77O5N

Smiles:
CCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCC
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.97
AlogP: 10.13 Num_rotatable_bonds: 35
MolWt: 628.04 Num_heavy_atoms: 44
TPSA: 113.51 NumAromaticRings: 0
AD55703
Formula: C18H31O13N

Smiles:
CC(O)=NC1C(OC2CC(CO)C(O)C(O)C2O)CC(O)(C(=O)O)OC1C(O)C(O)CO
HBA: 14 RingCount: 2
HBD: 10 FractionCSP3: 0.89
AlogP: -4.54 Num_rotatable_bonds: 8
MolWt: 469.44 Num_heavy_atoms: 32
TPSA: 250.19 NumAromaticRings: 0

Sugarmoiety
SD08252

CC(O)C1OC(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O