Glycoside
GD012910
Name:
NoneFormula:
C36H47O12N5Smiles:
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@H](CC(C)C)NC(=O)OCc4ccccc4)C(=O)O)[C@H](O)[C@H]3O)c2=O)cc1Aglycone:
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCNC(CO)C(=O)O.COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 18 |
| MolWt: | 741.8 | Num_heavy_atoms: | 53 |
| TPSA: | 239.91 | NumAromaticRings: | 3 |
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 |
AD09692
Formula: C20H31O6N3
Smiles:
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NCCCNC(CO)C(=O)O| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 409.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.99 | NumAromaticRings: | 1 |
