Glycoside
GD022616
Name:
NoneFormula:
C30H44O4N8Smiles:
C=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCNC(=O)Nc2ccc(C(C)(C)C)cc2)C(C)C)[C@H](O)[C@H]1OAglycone:
C=CCNc1ncnc2c1N=C[N]2.CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 12 |
| MolWt: | 580.73 | Num_heavy_atoms: | 42 |
| TPSA: | 149.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD00137
Formula: C18H31ON3
Smiles:
CC(C)N(C)CCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 305.47 | Num_heavy_atoms: | 22 |
| TPSA: | 44.37 | NumAromaticRings: | 1 |
AD02384
Formula: C8H8N5
Smiles:
C=CCNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 174.19 | Num_heavy_atoms: | 13 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
