Glycoside
GD127580
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-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C34H44O15N2Smiles:
C=CC1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)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(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.59 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 720.72 | Num_heavy_atoms: | 51 |
| TPSA: | 250.16 | 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 |
