Glycoside
...
GD126535

Name:
None

Formula:
C50H60O14N6

Smiles:
N=C(N)NCCCC(O)CCC1=CC2(C(=O)O)C(c3cc(O)c(OC4(O)OC(CO)C(O)C(O)C4O)cc3N2C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C1(c2ccccc2O)CCCCC1

Aglycone:
N=C(N)NCCCC(O)CCC1=CC2(C(=O)O)C(c3cc(O)c(O)cc3N2C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C1(c2ccccc2O)CCCCC1

Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 14 FractionCSP3: 0.46
AlogP: 2.16 Num_rotatable_bonds: 17
MolWt: 969.06 Num_heavy_atoms: 70
TPSA: 344.76 NumAromaticRings: 3

Unique Aglycone
AD51210
Formula: C44H50O8N6

Smiles:
N=C(N)NCCCC(O)CCC1=CC2(C(=O)O)C(c3cc(O)c(O)cc3N2C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C1(c2ccccc2O)CCCCC1
HBA: 14 RingCount: 7
HBD: 10 FractionCSP3: 0.39
AlogP: 5.36 Num_rotatable_bonds: 14
MolWt: 790.92 Num_heavy_atoms: 58
TPSA: 245.38 NumAromaticRings: 3

Sugarmoiety
SD00999

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