Glycoside
GD134862
Name:
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxy-6-methyloxan-2-yl)-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C27H32O14Smiles:
CC1OC(c2c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c3c2OC(c2ccc(O)cc2)CC3=O)C(O)C(O)C1OAglycone:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 4 |
| MolWt: | 580.54 | Num_heavy_atoms: | 41 |
| TPSA: | 247.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD03294
Formula: C15H12O5
Smiles:
O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
