Glycoside
...
GD150842

Name:
None

Formula:
C42H43O12N3

Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C3(c4ccccc4)CCCC3)C=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCC3)C=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 8 FractionCSP3: 0.38
AlogP: 2.29 Num_rotatable_bonds: 10
MolWt: 781.81 Num_heavy_atoms: 57
TPSA: 242.4 NumAromaticRings: 3

Unique Aglycone
AD60213
Formula: C36H33O6N3

Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCC3)C=CC21C(=O)O
HBA: 9 RingCount: 7
HBD: 4 FractionCSP3: 0.28
AlogP: 5.49 Num_rotatable_bonds: 7
MolWt: 603.68 Num_heavy_atoms: 45
TPSA: 143.02 NumAromaticRings: 3

Sugarmoiety
SD00999

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