Glycoside
GD115038
Name:
2-[2-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-3-yl)acetamido]butanedioic acidFormula:
C20H24O12N2Smiles:
O=C(O)CC(N=C(O)CC1(OC2OC(CO)C(O)C(O)C2O)C(O)=Nc2ccccc21)C(=O)OAglycone:
O=C(O)CC(N=C(O)CC1(O)C(O)=Nc2ccccc21)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 484.41 | Num_heavy_atoms: | 34 |
| TPSA: | 239.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD45436
Formula: C14H14O7N2
Smiles:
O=C(O)CC(N=C(O)CC1(O)C(O)=Nc2ccccc21)C(=O)O| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 322.27 | Num_heavy_atoms: | 23 |
| TPSA: | 160.01 | NumAromaticRings: | 1 |
