Glycoside
...
GD116413

Name:
None

Formula:
C42H46O12N4

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(OC3(O)OC(CO)C(O)C(O)C3O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C(=O)O

Aglycone:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.43
AlogP: 1.23 Num_rotatable_bonds: 10
MolWt: 798.85 Num_heavy_atoms: 58
TPSA: 268.42 NumAromaticRings: 3

Unique Aglycone
AD46221
Formula: C36H36O6N4

Smiles:
NC1CCC2CCc3ccccc3C12CC1c2cc(O)c(O)cc2N(C(=O)C=Cc2ccc(O)c(CC3=NCN=C3)c2)C1C(=O)O
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 0.33
AlogP: 4.44 Num_rotatable_bonds: 7
MolWt: 620.71 Num_heavy_atoms: 46
TPSA: 169.04 NumAromaticRings: 3

Sugarmoiety
SD00999

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