Glycoside
...
GD147393

Name:
30-33

Formula:
C62H99O24N11

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)CCCCCCCCCCC)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)CCCCCCCCCCC)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: 0.68
AlogP: 2.71 Num_rotatable_bonds: 29
MolWt: 1382.53 Num_heavy_atoms: 97
TPSA: 596.02 NumAromaticRings: 1

Unique Aglycone
AD55573
Formula: C56H89O19N11

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)CCCCCCCCCCC)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: 0.64
AlogP: 4.89 Num_rotatable_bonds: 26
MolWt: 1220.39 Num_heavy_atoms: 86
TPSA: 516.87 NumAromaticRings: 1

Sugarmoiety
SD00003

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