Glycoside
...
GD153852

Name:
None

Formula:
C43H50O13N8

Smiles:
CNC(=N)NCc1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(OC3OC(O)(CO)C(O)(CC(CN4C(=O)C=CC4=O)C4=CCNC(N)=C4)C(O)C3O)cc(OC)cc1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=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: 21 RingCount: 7
HBD: 15 FractionCSP3: 0.37
AlogP: -2.19 Num_rotatable_bonds: 14
MolWt: 886.92 Num_heavy_atoms: 64
TPSA: 344.6 NumAromaticRings: 2

Unique Aglycone
AD45449
Formula: C12H15O2N3

Smiles:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.12 Num_rotatable_bonds: 3
MolWt: 233.27 Num_heavy_atoms: 17
TPSA: 75.43 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