Glycoside
...
GD126827

Name:
None

Formula:
C43H48O13N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 9 FractionCSP3: 0.42
AlogP: 1.23 Num_rotatable_bonds: 14
MolWt: 814.87 Num_heavy_atoms: 59
TPSA: 249.31 NumAromaticRings: 4

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD48530
Formula: C26H28O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3
HBA: 8 RingCount: 6
HBD: 3 FractionCSP3: 0.42
AlogP: 1.67 Num_rotatable_bonds: 4
MolWt: 462.53 Num_heavy_atoms: 34
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO