Glycoside
GD132485
Name:
4,12a-dihydroxy-9-methoxy-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6,6a,12,12a-tetrahydro-5,7-dioxatetraphen-12-oneFormula:
C23H24O12Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)OC1COc3c(O)cccc3C1(O)C2=OAglycone:
COc1cc(O)c2c(c1)OC1COc3c(O)cccc3C1(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 492.43 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD53647
Formula: C17H14O7
Smiles:
COc1cc(O)c2c(c1)OC1COc3c(O)cccc3C1(O)C2=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
