Glycoside
GD016902
Name:
NoneFormula:
C20H29O5N5Smiles:
CC[C@H](C)[C@H](N)C(=O)OC[C@@H]1O[C@H](CCn2nnc(-c3ccccc3)n2)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)OC.CCn1nnc(-c2ccccc2)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 419.48 | Num_heavy_atoms: | 30 |
| TPSA: | 145.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD06783
Formula: C9H10N4
Smiles:
CCn1nnc(-c2ccccc2)n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.21 | Num_heavy_atoms: | 13 |
| TPSA: | 43.6 | NumAromaticRings: | 2 |
AD10135
Formula: C7H15O2N
Smiles:
CCC(C)C(N)C(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 145.2 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
