Glycoside
GD114759
Name:
methyl 3-ethenyl-4-{9H-pyrido[3,4-b]indole-1-carbonyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C27H28O10N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1C(=O)c1nccc2c1[nH]c1ccccc12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1C(=O)c1nccc2c1[nH]c1ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 540.53 | Num_heavy_atoms: | 39 |
| TPSA: | 180.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD45266
Formula: C21H18O5N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1C(=O)c1nccc2c1[nH]c1ccccc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 378.38 | Num_heavy_atoms: | 28 |
| TPSA: | 101.51 | NumAromaticRings: | 3 |
