Glycoside

GD127210
Name:
NoneFormula:
C36H44O10N4Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)(CN1C=CC3=[NH+]C=CC31)C(O)C(O)CO)C(C)(C)O2Aglycone:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2.CN1C=CC2=[NH+]C=CC21Sugarmoiety:
OCC(O)C(O)C(O)(O)C(O)COOOther Identifiers
Properties
HBA: | 14 | RingCount: | 7 |
HBD: | 7 | FractionCSP3: | 0.47 |
AlogP: | -2.28 | Num_rotatable_bonds: | 12 |
MolWt: | 692.77 | Num_heavy_atoms: | 50 |
TPSA: | 193.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD47386
Formula: C7H9N2
Smiles:
CN1C=CC2=[NH+]C=CC21HBA: | 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 |
AD51509
Formula: C23H25O4N2
Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(C)O2HBA: | 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 |