Glycoside
GD033852
Name:
NoneFormula:
C45H76O12N6Smiles:
CO[C@@]1(C)C[C@H](C)[C@H](O)[C@H](C)CN(C)C[C@H](COCc2cn(-c3ccccn3)nn2)OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1OAglycone:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3ccccn3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1OSugarmoiety:
COC1(C)CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 2.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 893.13 | Num_heavy_atoms: | 63 |
| TPSA: | 201.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD21580
Formula: C37H62O9N6
Smiles:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3ccccn3)nn2)OC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O| HBA: | 15 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 9 |
| MolWt: | 734.94 | Num_heavy_atoms: | 52 |
| TPSA: | 173.99 | NumAromaticRings: | 2 |
