Glycoside
GD036914
Name:
NoneFormula:
C29H34O9N9FSmiles:
CC(=O)NC[C@@H]1CN(c2ccc(N3CCN(C(=O)c4cn(C[C@@H]5O[C@H](n6cc(C)c(=O)[nH]c6=O)[C@H](O)[C@H]5O)nn4)CC3)c(F)c2)C(=O)O1Aglycone:
CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)c4cn(C)nn4)CC3)c(F)c2)C(=O)O1.Cc1c[nH]c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 671.64 | Num_heavy_atoms: | 48 |
| TPSA: | 217.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD23272
Formula: C20H24O4N7F
Smiles:
CC(=O)NCC1CN(c2ccc(N3CCN(C(=O)c4cn(C)nn4)CC3)c(F)c2)C(=O)O1| HBA: | 11 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 445.46 | Num_heavy_atoms: | 32 |
| TPSA: | 112.9 | NumAromaticRings: | 2 |
