Glycoside
GD034968
Name:
NoneFormula:
C35H61O11N3Smiles:
COCCCOc1cc(C[C@H](C[C@H](N)[C@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.77 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 21 |
| MolWt: | 699.88 | Num_heavy_atoms: | 49 |
| TPSA: | 236.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD22164
Formula: C29H51O6N3
Smiles:
COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1O| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.72 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 18 |
| MolWt: | 537.74 | Num_heavy_atoms: | 38 |
| TPSA: | 157.13 | NumAromaticRings: | 1 |
