Glycoside
GD120283
Name:
7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-[2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-3,4-dihydro-2H-1-benzopyran-2-oneFormula:
C31H32O12Smiles:
COc1cc(C2CC(=O)Oc3cc(O)cc(C=Cc4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)c32)ccc1OAglycone:
COc1cc(C=Cc2cc(O)cc3c2C(c2ccc(O)c(OC)c2)CC(=O)O3)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 596.59 | Num_heavy_atoms: | 43 |
| TPSA: | 184.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD48302
Formula: C25H22O7
Smiles:
COc1cc(C=Cc2cc(O)cc3c2C(c2ccc(O)c(OC)c2)CC(=O)O3)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.16 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.44 | Num_heavy_atoms: | 32 |
| TPSA: | 105.45 | NumAromaticRings: | 3 |
