Glycoside
...
GD128409

Name:
None

Formula:
C44H54O12N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(O)C3.Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 8 FractionCSP3: 0.52
AlogP: 1.94 Num_rotatable_bonds: 14
MolWt: 816.93 Num_heavy_atoms: 59
TPSA: 229.08 NumAromaticRings: 3

Unique Aglycone
AD00732
Formula: C7H8O

Smiles:
Cc1ccc(O)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 0
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD52010
Formula: C31H36O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC(C)(CCC1CN=C(O)C12CCCCC2)C(O)C3
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.52
AlogP: 3.23 Num_rotatable_bonds: 4
MolWt: 530.65 Num_heavy_atoms: 39
TPSA: 109.47 NumAromaticRings: 2

Sugarmoiety
SD04426

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