Glycoside
GD120494
Name:
1-{[3-ethenyl-5-(methoxycarbonyl)-2-{[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acidFormula:
C28H34O11N2Smiles:
C=CC1C(OC2OC(O)C(O)C(O)C2CO)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21Sugarmoiety:
OCC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 574.58 | Num_heavy_atoms: | 41 |
| TPSA: | 200.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD09569
Formula: C22H24O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.44 | Num_heavy_atoms: | 30 |
| TPSA: | 120.88 | NumAromaticRings: | 2 |
