Glycoside
GD008482
Name:
NoneFormula:
C49H68O20N9P3S2Smiles:
CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNc3nc4c(N)ncnc4n3[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)NCCCCCCNC3=Nc4c(N)ncnc4[N]3)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: | 29 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.49 |
| AlogP: | 5.06 | Num_rotatable_bonds: | 28 |
| MolWt: | 1260.18 | Num_heavy_atoms: | 83 |
| TPSA: | 438.08 | 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 |
AD06768
Formula: C44H56O7N9S2
Smiles:
CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNC3=Nc4c(N)ncnc4[N]3)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21| HBA: | 16 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 19 |
| MolWt: | 887.12 | Num_heavy_atoms: | 62 |
| TPSA: | 237.21 | NumAromaticRings: | 3 |
