Glycoside
GD147498
Name:
5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C28H34O14Smiles:
CC1OC(OCC2OC(Oc3cc(O)c4c(c3)OCC(Cc3ccc(O)cc3)C4=O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1c2c(O)cc(O)cc2OCC1Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.57 | Num_heavy_atoms: | 42 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD59066
Formula: C16H14O5
Smiles:
O=C1c2c(O)cc(O)cc2OCC1Cc1ccc(O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
