Glycoside
GD149923
Name:
NoneFormula:
C29H38O10N3Smiles:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3C=CN=C3C2)CC1OOCC(O)C(O)C(O)C(O)COAglycone:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3C=CN=C3C2)CC1OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 12 |
| MolWt: | 588.63 | Num_heavy_atoms: | 42 |
| TPSA: | 191.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD50650
Formula: C23H26O4N3
Smiles:
C[NH2+]CCC1(C)Oc2c(cc3c(=O)cc(C)oc3c2N2C=C3C=CN=C3C2)CC1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.48 | Num_heavy_atoms: | 30 |
| TPSA: | 91.88 | NumAromaticRings: | 2 |
