Glycoside
GD037236
Name:
NoneFormula:
C49H67O20N8P3S2Smiles:
CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNc3ncnc4c3ncn4[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21Aglycone:
CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNc3ncnc4c3N=C[N]4)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.49 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 28 |
| MolWt: | 1245.17 | Num_heavy_atoms: | 82 |
| TPSA: | 412.06 | NumAromaticRings: | 4 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD23471
Formula: C44H55O7N8S2
Smiles:
CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNc3ncnc4c3N=C[N]4)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21| HBA: | 15 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 7.08 | Num_rotatable_bonds: | 20 |
| MolWt: | 872.11 | Num_heavy_atoms: | 61 |
| TPSA: | 211.19 | NumAromaticRings: | 3 |
