Glycoside
GD144397
Name:
2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzofuran-3-oneFormula:
C27H32O15Smiles:
CC1OC(OCC2OC(Oc3cc(O)cc4c3C(=O)C(O)(Cc3ccc(O)cc3)O4)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.52 |
| AlogP: | -2.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 245.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD21834
Formula: C15H12O6
Smiles:
O=C1c2c(O)cc(O)cc2OC1(O)Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
