Glycoside
GD020335
Name:
NoneFormula:
C33H39O5N7Smiles:
Cc1cc(C)c(CN2CCN(C(=O)CC[C@@H]3O[C@H](n4cnc5c(NC(=O)c6ccccc6)ncnc54)[C@H](O)[C@H]3O)CC2)c(C)c1Aglycone:
CCC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 613.72 | Num_heavy_atoms: | 45 |
| TPSA: | 145.94 | NumAromaticRings: | 4 |
Unique Aglycone
AD00699
Formula: C17H26ON2
Smiles:
CCC(=O)N1CCN(Cc2c(C)cc(C)cc2C)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.59 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 274.41 | Num_heavy_atoms: | 20 |
| TPSA: | 23.55 | NumAromaticRings: | 1 |
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
