Glycoside
GD002859
Name:
NoneFormula:
C32H49O10N5Smiles:
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CC(C)C)C(=O)OC(C)(C)C)[C@H](O)[C@H]3O)c2=O)cc1Aglycone:
CC(C)CC(N)C(=O)NCCCNC(CO)C(=O)OC(C)(C)C.COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 15 |
| MolWt: | 663.77 | Num_heavy_atoms: | 47 |
| TPSA: | 216.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00600
Formula: C12H12O3N2
Smiles:
COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 232.24 | Num_heavy_atoms: | 17 |
| TPSA: | 64.09 | NumAromaticRings: | 2 |
AD02676
Formula: C16H33O4N3
Smiles:
CC(C)CC(N)C(=O)NCCCNC(CO)C(=O)OC(C)(C)C| HBA: | 7 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 0.16 | Num_rotatable_bonds: | 10 |
| MolWt: | 331.46 | Num_heavy_atoms: | 23 |
| TPSA: | 113.68 | NumAromaticRings: | 0 |
