Glycoside
GD117433
Name:
NoneFormula:
C34H44O11N3Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)C(O)C(O)C(O)CO)C(C)(CCC1CN=C(O)C1)O2Aglycone:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2Sugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 13 |
| MolWt: | 670.74 | Num_heavy_atoms: | 48 |
| TPSA: | 208.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD46820
Formula: C28H32O5N3
Smiles:
CCC1=C2C=C[NH+]=C2CN1c1c2c(cc3c(=O)cc(C)oc13)CC(O)C(C)(CCC1CN=C(O)C1)O2| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.58 | Num_heavy_atoms: | 36 |
| TPSA: | 109.47 | NumAromaticRings: | 2 |
