Glycoside
...
GD138196

Name:
hassallidin e

Formula:
C64H103O24N11

Smiles:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(=N)O)N=C(O)C(C(C)OC2OC(CO)C(O)C(O)C2O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O

Aglycone:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(=N)O)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O

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

Other Identifiers

Properties
HBA: 35 RingCount: 3
HBD: 21 FractionCSP3: 0.69
AlogP: 3.49 Num_rotatable_bonds: 31
MolWt: 1410.58 Num_heavy_atoms: 99
TPSA: 596.02 NumAromaticRings: 1

Unique Aglycone
AD55803
Formula: C58H93O19N11

Smiles:
CC=C1N=C(O)C(Cc2ccc(O)cc2)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N=C(O)C(O)C(O)CCCCCCCCCCCCC)C(C)O)C(C)OC(=O)C(CCC(=N)O)N=C(O)C(C(C)O)N(C)C(=O)CN=C(O)C(CCC(=N)O)N=C1O
HBA: 30 RingCount: 2
HBD: 18 FractionCSP3: 0.66
AlogP: 5.67 Num_rotatable_bonds: 28
MolWt: 1248.44 Num_heavy_atoms: 88
TPSA: 516.87 NumAromaticRings: 1

Sugarmoiety
SD00003

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