Glycoside
GD147149
Name:
methyl 3-ethenyl-4-({2-methyl-3-oxo-2H,3H,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:
C28H32O10N2Smiles:
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: | 0.43 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 556.57 | Num_heavy_atoms: | 40 |
| TPSA: | 172.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD58940
Formula: C22H22O5N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1c2[nH]c3ccccc3c2cc(=O)n1C| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.43 | Num_heavy_atoms: | 29 |
| TPSA: | 93.55 | NumAromaticRings: | 3 |
