Glycoside
GD006486
Name:
NoneFormula:
C53H78O14N6Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)C(O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)C(CC=O)C[C@H](C)C(=NOCCCc2cn(-c3cnc4ccccc4c3)nn2)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCCCc2cn(-c3cnc4ccccc4c3)nn2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.66 |
| AlogP: | 4.13 | Num_rotatable_bonds: | 17 |
| MolWt: | 1023.23 | Num_heavy_atoms: | 73 |
| TPSA: | 248.1 | NumAromaticRings: | 3 |
Unique Aglycone
AD05365
Formula: C37H49O7N5
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCCCc2cn(-c3cnc4ccccc4c3)nn2)C=CC(C)=CC1CO| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.51 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 10 |
| MolWt: | 675.83 | Num_heavy_atoms: | 49 |
| TPSA: | 169.25 | NumAromaticRings: | 3 |
