Glycoside
GD143652
Name:
5-{[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-ylidene](hydroxy)methyl}-6-hydroxy-2-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dioneFormula:
C27H31O14NSmiles:
O=C1C=C(C(O)=C2NC(CO)C(O)C2O)C(O)(C2OC(CO)C(O)C(O)C2O)C(=O)C1=C(O)C=Cc1ccc(O)cc1Aglycone:
O=C1C=C(C(O)=C2NC(CO)C(O)C2O)C(O)C(=O)C1=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.41 |
| AlogP: | -3.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 593.54 | Num_heavy_atoms: | 42 |
| TPSA: | 277.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD57765
Formula: C21H21O9N
Smiles:
O=C1C=C(C(O)=C2NC(CO)C(O)C2O)C(O)C(=O)C1=C(O)C=Cc1ccc(O)cc1| HBA: | 10 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 4 |
| MolWt: | 431.4 | Num_heavy_atoms: | 31 |
| TPSA: | 187.78 | NumAromaticRings: | 1 |
