Glycoside
...
GD131249

Name:
None

Formula:
C36H43O11N2

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)cc1)C(O)C(O)C(O)CO)C(C)(C)O2

Aglycone:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2.Cc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 7 FractionCSP3: 0.44
AlogP: 0.42 Num_rotatable_bonds: 12
MolWt: 679.74 Num_heavy_atoms: 49
TPSA: 196.49 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
AD45259
Formula: C23H25O4N2

Smiles:
CCC1C2=CC=[NH+]C2=CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.39
AlogP: 1.71 Num_rotatable_bonds: 2
MolWt: 393.46 Num_heavy_atoms: 29
TPSA: 76.88 NumAromaticRings: 2

Sugarmoiety
SD04426

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