Glycoside
...
GD150321

Name:
None

Formula:
C35H43O12N5

Smiles:
CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CCC4=CCNC(N)=C4)C(O)C3O)cc(OC)c(CO)c1C2=O

Aglycone:
CCC1=CCNC(N)=C1.CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 12 FractionCSP3: 0.43
AlogP: -1.3 Num_rotatable_bonds: 13
MolWt: 725.75 Num_heavy_atoms: 52
TPSA: 286.24 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
AD52219
Formula: C22H23O7N3

Smiles:
CNC(=N)NCc1c(CCC=O)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.27
AlogP: 0.75 Num_rotatable_bonds: 7
MolWt: 441.44 Num_heavy_atoms: 32
TPSA: 169.04 NumAromaticRings: 2

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O