Glycoside
GD004450
Name:
NoneFormula:
C68H126O19N24Smiles:
N=C(N)NCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)CCCCCNC(=N)N)[C@H](OC(=O)CCCCCNC(=N)N)[C@H](OC(=O)CCCCCNC(=N)N)[C@H]2OC(=O)CCCCCNC(=N)N)[C@H](OC(=O)CCCCCNC(=N)N)[C@H](OC(=O)CCCCCNC(=N)N)[C@H]1OC(=O)CCCCCNC(=N)NAglycone:
COC(=O)CCCCCNC(=N)N.COC(=O)CCCCCNC(=N)N.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)O.N=C(N)NCCCCCC(=O)OSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 43 | RingCount: | 2 |
| HBD: | 32 | FractionCSP3: | 0.76 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 60 |
| MolWt: | 1583.91 | Num_heavy_atoms: | 111 |
| TPSA: | 733.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD03886
Formula: C8H17O2N3
Smiles:
COC(=O)CCCCCNC(=N)N| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 187.24 | Num_heavy_atoms: | 13 |
| TPSA: | 88.2 | NumAromaticRings: | 0 |
AD03887
Formula: C7H15O2N3
Smiles:
N=C(N)NCCCCCC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 173.22 | Num_heavy_atoms: | 12 |
| TPSA: | 99.2 | NumAromaticRings: | 0 |
