Glycoside
...
GD148920

Name:
None

Formula:
C38H46O10N4

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C1CCCC1)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)(C1CCCC1)C(O)C3

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

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 7 FractionCSP3: 0.5
AlogP: -1.89 Num_rotatable_bonds: 12
MolWt: 718.8 Num_heavy_atoms: 52
TPSA: 193.47 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
AD50304
Formula: C25H27O4N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C1CCCC1)C(O)C3
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.44
AlogP: 2.1 Num_rotatable_bonds: 2
MolWt: 419.5 Num_heavy_atoms: 31
TPSA: 76.88 NumAromaticRings: 2

Sugarmoiety
SD04404

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