Glycoside
GD144625
Name:
methyl 4-({2,5'-dioxo-1,2-dihydrospiro[indole-3,3'-oxolan]-2'-yl}methyl)-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C27H31O12NSmiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC1OC(=O)CC12C(O)=Nc1ccccc12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OC(=O)CC12C(O)=Nc1ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 561.54 | Num_heavy_atoms: | 40 |
| TPSA: | 193.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD58107
Formula: C21H21O7N
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1OC(=O)CC12C(O)=Nc1ccccc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 399.4 | Num_heavy_atoms: | 29 |
| TPSA: | 114.65 | NumAromaticRings: | 1 |
