Glycoside
...
GD126350

Name:
None

Formula:
C34H40O11N4

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C)C(OOCC(O)C(O)(CN1C2=CC=[NH+]C2=CC1O)C(O)C(O)CO)C3

Aglycone:
CN1C2=CC=[NH+]C2=CC1O.Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C)C(O)C3

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

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.44
AlogP: -3.74 Num_rotatable_bonds: 11
MolWt: 680.71 Num_heavy_atoms: 49
TPSA: 213.7 NumAromaticRings: 2

Unique Aglycone
AD48777
Formula: C21H21O4N2

Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5[NH+]=CC=C5C4)c2o1)OC(C)(C)C(O)C3
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.33
AlogP: 0.93 Num_rotatable_bonds: 1
MolWt: 365.41 Num_heavy_atoms: 27
TPSA: 76.88 NumAromaticRings: 2
AD51115
Formula: C7H9ON2

Smiles:
CN1C2=CC=[NH+]C2=CC1O
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.29
AlogP: -1.82 Num_rotatable_bonds: 0
MolWt: 137.16 Num_heavy_atoms: 10
TPSA: 37.44 NumAromaticRings: 0

Sugarmoiety
SD04404

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