Glycoside
GD020541
Name:
NoneFormula:
C53H74O14N6Smiles:
CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@H](CCC(=O)NCCNO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H]3CAglycone:
CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)C(CCC(=O)NCCNO)C3CSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.62 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 20 |
| MolWt: | 1019.2 | Num_heavy_atoms: | 73 |
| TPSA: | 303.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD14177
Formula: C41H54O4N6
Smiles:
CCCCCCOC(C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)C(CCC(=O)NCCNO)C3C| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.51 |
| AlogP: | 8.43 | Num_rotatable_bonds: | 14 |
| MolWt: | 694.92 | Num_heavy_atoms: | 51 |
| TPSA: | 145.02 | NumAromaticRings: | 3 |
