Glycoside
GD129423
Name:
1-[3-ethenyl-4-({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-yl]ethan-1-oneFormula:
C27H34O8N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(C)=O)C1CC1NCCc2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(C(C)=O)C1CC1NCCc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 514.58 | Num_heavy_atoms: | 37 |
| TPSA: | 153.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD52430
Formula: C21H24O3N2
Smiles:
C=CC1C(O)OC=C(C(C)=O)C1CC1NCCc2c1[nH]c1ccccc21| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 352.43 | Num_heavy_atoms: | 26 |
| TPSA: | 74.35 | NumAromaticRings: | 2 |
