Glycoside
GD136387
Name:
methyl 3-ethenyl-4-({2-methyl-3-oxo-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}methyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C28H34O10N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CC(=O)N1CAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CC(=O)N1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 171.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD51666
Formula: C22H24O5N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1c2[nH]c3ccccc3c2CC(=O)N1C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.44 | Num_heavy_atoms: | 29 |
| TPSA: | 91.86 | NumAromaticRings: | 2 |
