Glycoside
...
GD152161

Name:
None

Formula:
C39H47O11N5

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)C(O)(CN1CC=C2[NH+]=CC=C21)C(O)C(O)CO)C3

Aglycone:
CN1CC=C2[NH+]=CC=C21.Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 8 FractionCSP3: 0.49
AlogP: -2.32 Num_rotatable_bonds: 14
MolWt: 761.83 Num_heavy_atoms: 55
TPSA: 226.06 NumAromaticRings: 2

Unique Aglycone
AD45576
Formula: C7H9N2

Smiles:
CN1CC=C2[NH+]=CC=C21
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.29
AlogP: -1.14 Num_rotatable_bonds: 0
MolWt: 121.16 Num_heavy_atoms: 9
TPSA: 17.21 NumAromaticRings: 0
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
SD04404

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