Glycoside
...
GD129032

Name:
None

Formula:
C38H47O11N7

Smiles:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(OC3OC(O)(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C3O)cc(OC)cc1C2=O

Aglycone:
CCC1=CCNC(N)=C1.CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O

Sugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 15 FractionCSP3: 0.39
AlogP: -1.34 Num_rotatable_bonds: 12
MolWt: 777.83 Num_heavy_atoms: 56
TPSA: 307.22 NumAromaticRings: 2

Unique Aglycone
AD44859
Formula: C7H12N2

Smiles:
CCC1=CCNC(N)=C1
HBA: 2 RingCount: 1
HBD: 3 FractionCSP3: 0.43
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 124.19 Num_heavy_atoms: 9
TPSA: 38.05 NumAromaticRings: 0
AD47258
Formula: C25H27O5N5

Smiles:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 10 RingCount: 4
HBD: 8 FractionCSP3: 0.24
AlogP: 1.39 Num_rotatable_bonds: 6
MolWt: 477.52 Num_heavy_atoms: 35
TPSA: 169.79 NumAromaticRings: 2

Sugarmoiety
SD04528

OCC1(O)OC(O)C(O)C(O)C1(O)O