Glycoside
GD008350
Name:
NoneFormula:
C44H85O15N7S5Smiles:
CCC[C@@H]1C[C@H](C(=O)NC([C@H](C)SCCOCCSSCCOCCSC[C@@H]2O[C@H](O[C@H]3[C@H](N)C[C@@H](N)[C@@H](O[C@@H]4O[C@H](CN)[C@H](O)C[C@H]4N)[C@H]3O)[C@H](O)[C@H](N)[C@H]2O)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)N(C)C1Aglycone:
CCCC1CC(C(=O)NCC(C)SCCOCCSSCCOCCSC)N(C)C1.NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1OSugarmoiety:
CSC1OC(O)C(O)C(O)C1O.NC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 18 | FractionCSP3: | 0.98 |
| AlogP: | -3.24 | Num_rotatable_bonds: | 28 |
| MolWt: | 1112.53 | Num_heavy_atoms: | 71 |
| TPSA: | 368.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD02993
Formula: C12H26O5N4
Smiles:
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)CC1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -4.09 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.36 | Num_heavy_atoms: | 21 |
| TPSA: | 183.23 | NumAromaticRings: | 0 |
AD06676
Formula: C21H42O3N2S4
Smiles:
CCCC1CC(C(=O)NCC(C)SCCOCCSSCCOCCSC)N(C)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 19 |
| MolWt: | 498.85 | Num_heavy_atoms: | 30 |
| TPSA: | 50.8 | NumAromaticRings: | 0 |
