Glycoside
GD142798
Name:
3-ethenyl-4-({2-methyl-3,4-dioxo-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-ylidene}methyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C27H28O11N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1C=C1c2[nH]c3ccccc3c2C(=O)C(=O)N1CAglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=C1c2[nH]c3ccccc3c2C(=O)C(=O)N1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.37 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 556.52 | Num_heavy_atoms: | 40 |
| TPSA: | 199.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD57459
Formula: C21H18O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=C1c2[nH]c3ccccc3c2C(=O)C(=O)N1C| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 394.38 | Num_heavy_atoms: | 29 |
| TPSA: | 119.93 | NumAromaticRings: | 2 |
