Glycoside
GD002253
Name:
NoneFormula:
C64H108O8N4Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@@H]1O[C@H](Cn2nnc(-c3ccccc3)c2-c2ccccc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCCAglycone:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC.Cn1nnc(-c2ccccc2)c1-c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.77 |
| AlogP: | 14.12 | Num_rotatable_bonds: | 47 |
| MolWt: | 1061.59 | Num_heavy_atoms: | 76 |
| TPSA: | 179.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD00325
Formula: C44H89O4N
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.98 |
| AlogP: | 12.66 | Num_rotatable_bonds: | 41 |
| MolWt: | 696.2 | Num_heavy_atoms: | 49 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
AD02172
Formula: C15H13N3
Smiles:
Cn1nnc(-c2ccccc2)c1-c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 235.29 | Num_heavy_atoms: | 18 |
| TPSA: | 30.71 | NumAromaticRings: | 3 |
