Glycoside
GD115137
Name:
NoneFormula:
C34H40O11N3Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(OOCC(O)C(O)C(O)C(O)CO)C3Aglycone:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(O)C3Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 10 |
| MolWt: | 666.7 | Num_heavy_atoms: | 48 |
| TPSA: | 208.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD45490
Formula: C28H28O5N3
Smiles:
Cc1cc(=O)c2cc3c(c(N4C=C5C=C[NH+]=C5C4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(O)C3| HBA: | 8 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.55 | Num_heavy_atoms: | 36 |
| TPSA: | 109.47 | NumAromaticRings: | 2 |
