Glycoside

GD038136
Name:
5'-{[(3s)-3-amino-3-carboxypropyl](2-chloroethyl)amino}-5'-deoxyadenosineFormula:
C17H24O5N7ClSmiles:
Nc1ncnc2c1ncn2[C@H]1O[C@H](CN(CCCl)CC[C@@H](N)C(=O)O)[C@H](O)[C@@H]1OAglycone:
CN(CCCl)CCC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.62 |
AlogP: | -1.63 | Num_rotatable_bonds: | 9 |
MolWt: | 429.87 | Num_heavy_atoms: | 29 |
TPSA: | 185.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2HBA: | 5 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.0 |
AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
MolWt: | 134.12 | Num_heavy_atoms: | 10 |
TPSA: | 78.26 | NumAromaticRings: | 1 |
AD23870
Formula: C8H15O2N2Cl
Smiles:
CN(CCCl)CCC(N)C(=O)OHBA: | 4 | RingCount: | 0 |
HBD: | 3 | FractionCSP3: | 0.86 |
AlogP: | -0.04 | Num_rotatable_bonds: | 6 |
MolWt: | 194.66 | Num_heavy_atoms: | 12 |
TPSA: | 66.56 | NumAromaticRings: | 0 |