Glycoside
GD139535
Name:
1-{[3-ethenyl-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-7-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylic acidFormula:
C28H30O12N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1cc(O)ccc12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.55 | Num_heavy_atoms: | 42 |
| TPSA: | 221.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD56266
Formula: C22H20O7N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1cc(O)ccc12| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.41 | Num_heavy_atoms: | 31 |
| TPSA: | 141.97 | NumAromaticRings: | 3 |
