Glycoside
...
GD129950

Name:
None

Formula:
C44H47O13N3

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)CCCCC3CO)C=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCCC3CO)C=CC21C(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 9 FractionCSP3: 0.41
AlogP: 1.9 Num_rotatable_bonds: 11
MolWt: 825.87 Num_heavy_atoms: 60
TPSA: 262.63 NumAromaticRings: 3

Unique Aglycone
AD52649
Formula: C38H37O7N3

Smiles:
O=C(C=Cc1ccc(O)c(CC2=NCN=C2)c1)N1c2cc(O)c(O)cc2C2C(C3(c4ccccc4)CCCCC3CO)C=CC21C(=O)O
HBA: 10 RingCount: 7
HBD: 5 FractionCSP3: 0.32
AlogP: 5.1 Num_rotatable_bonds: 8
MolWt: 647.73 Num_heavy_atoms: 48
TPSA: 163.25 NumAromaticRings: 3

Sugarmoiety
SD00999

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