Glycoside
GD138300
Name:
methyl 3-ethenyl-4-({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:
C27H32O10N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1N=C(O)Cc2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1N=C(O)Cc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 544.56 | Num_heavy_atoms: | 39 |
| TPSA: | 183.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD55840
Formula: C21H22O5N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1N=C(O)Cc2c1[nH]c1ccccc21| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.42 | Num_heavy_atoms: | 28 |
| TPSA: | 104.14 | NumAromaticRings: | 2 |
