Glycoside
GD013716
Name:
3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-5-[(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:
C30H38O15Smiles:
COc1ccc(C[C@]2(O)COc3cc(OC)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)c3C2=O)cc1Aglycone:
COc1ccc(CC2(O)COc3cc(OC)cc(O)c3C2=O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.62 | Num_heavy_atoms: | 45 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD02124
Formula: C18H18O6
Smiles:
COc1ccc(CC2(O)COc3cc(OC)cc(O)c3C2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.28 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.34 | Num_heavy_atoms: | 24 |
| TPSA: | 85.22 | NumAromaticRings: | 2 |
