Glycoside
GD142084
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoateFormula:
C22H30O9N2Smiles:
CC(C)(C)OC(O)=NC(Cc1c[nH]c2ccccc12)C(=O)OCC1OC(O)C(O)C(O)C1OAglycone:
COC(=O)C(Cc1c[nH]c2ccccc12)N=C(O)OC(C)(C)CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.49 | Num_heavy_atoms: | 33 |
| TPSA: | 174.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD57190
Formula: C17H22O4N2
Smiles:
COC(=O)C(Cc1c[nH]c2ccccc12)N=C(O)OC(C)(C)C| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 318.37 | Num_heavy_atoms: | 23 |
| TPSA: | 83.91 | NumAromaticRings: | 2 |
