Glycoside
GD101940
Name:
NoneFormula:
C21H32O6N6Smiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)N[C@H]3CC[C@H](C)CC3)ncnc21Aglycone:
CC1CCC(NC(=O)Nc2ncnc3c2N=C[N]3)CC1.COCCOSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.52 | Num_heavy_atoms: | 33 |
| TPSA: | 152.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD43158
Formula: C13H17ON6
Smiles:
CC1CCC(NC(=O)Nc2ncnc3c2N=C[N]3)CC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.54 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 273.32 | Num_heavy_atoms: | 20 |
| TPSA: | 93.37 | NumAromaticRings: | 1 |
