Glycoside
...
GD115553

Name:
None

Formula:
C77H141O31N3

Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(COC1OC(COC2(C(=O)O)CC(OC3(C(=O)O)CC(O)C(N=C(O)COC4OC(C)C(O)C(O)C4O)C(C(O)C(O)CO)O3)C(N=C(C)O)C(C(O)C(O)CO)O2)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCC(C)C

Aglycone:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C.COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(N=C(C)O)C(C(O)C(O)CO)O1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 4
HBD: 21 FractionCSP3: 0.94
AlogP: 3.61 Num_rotatable_bonds: 59
MolWt: 1604.97 Num_heavy_atoms: 111
TPSA: 569.89 NumAromaticRings: 0

Unique Aglycone
AD45732
Formula: C43H87O5N

Smiles:
CCCCCCCCCCCCCCCCCCCCCCC(O)C(O)=NC(CO)C(O)C(O)CCCCCCCCCCCCC(C)C
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.98
AlogP: 11.94 Num_rotatable_bonds: 39
MolWt: 698.17 Num_heavy_atoms: 49
TPSA: 113.51 NumAromaticRings: 0
AD45733
Formula: C23H38O18N2

Smiles:
COC1(C(=O)O)CC(OC2(C(=O)O)CC(O)C(N=C(O)CO)C(C(O)C(O)CO)O2)C(N=C(C)O)C(C(O)C(O)CO)O1
HBA: 20 RingCount: 2
HBD: 12 FractionCSP3: 0.83
AlogP: -5.39 Num_rotatable_bonds: 14
MolWt: 630.55 Num_heavy_atoms: 43
TPSA: 338.54 NumAromaticRings: 0

Sugarmoiety
SD00638

CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O