Glycoside
...
GD156305

Name:
None

Formula:
C39H46O12N5

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=CN=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(OOCC(O)C(O)(CN1C(O)=CC2=[NH+]C=CC21)C(O)C(O)CO)C3

Aglycone:
CN1C(O)=CC2=[NH+]C=CC21.Cc1cc(=O)c2cc3c(c(N4C=C5C=CN=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: 17 RingCount: 8
HBD: 8 FractionCSP3: 0.49
AlogP: -0.52 Num_rotatable_bonds: 14
MolWt: 776.82 Num_heavy_atoms: 56
TPSA: 244.68 NumAromaticRings: 2

Unique Aglycone
AD50271
Formula: C7H9ON2

Smiles:
CN1C(O)=CC2=[NH+]C=CC21
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: -1.25 Num_rotatable_bonds: 0
MolWt: 137.16 Num_heavy_atoms: 10
TPSA: 37.44 NumAromaticRings: 0
AD61908
Formula: C26H27O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=CN=C5C4)c2o1)OC(C)(CCC1CN=C(O)C1)C(O)C3
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.42
AlogP: 3.58 Num_rotatable_bonds: 4
MolWt: 461.52 Num_heavy_atoms: 34
TPSA: 107.86 NumAromaticRings: 2

Sugarmoiety
SD04404

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