Glycoside
...
GD114264

Name:
None

Formula:
C41H53O11N7

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

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 15 FractionCSP3: 0.44
AlogP: -0.66 Num_rotatable_bonds: 15
MolWt: 819.91 Num_heavy_atoms: 59
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
AD44943
Formula: C28H33O6N5

Smiles:
CNC(=N)NCc1c(CC(CCCO)C2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O
HBA: 11 RingCount: 4
HBD: 9 FractionCSP3: 0.32
AlogP: 1.38 Num_rotatable_bonds: 9
MolWt: 535.6 Num_heavy_atoms: 39
TPSA: 190.02 NumAromaticRings: 2

Sugarmoiety
SD04299

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