Glycoside
GD000276
Name:
NoneFormula:
C27H31O7N3Smiles:
COc1ccc2[nH]cc(CCNC(=O)[C@](O)(Cc3cn(C)c4ccccc34)[C@]3(O)OCC(O)C3O)c2c1Aglycone:
COc1ccc2[nH]cc(CCNC(=O)C(O)Cc3cn(C)c4ccccc34)c2c1Sugarmoiety:
OC1COC(O)(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 509.56 | Num_heavy_atoms: | 37 |
| TPSA: | 149.2 | NumAromaticRings: | 4 |
Unique Aglycone
AD00321
Formula: C23H25O3N3
Smiles:
COc1ccc2[nH]cc(CCNC(=O)C(O)Cc3cn(C)c4ccccc34)c2c1| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.26 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.47 | Num_heavy_atoms: | 29 |
| TPSA: | 79.28 | NumAromaticRings: | 4 |
