Glycoside
GD131386
Name:
1-hydroxy-3-methyl-8-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxyphenoxy)methyl]oxan-2-yl}oxy)-9,10-dihydroanthracene-9,10-dioneFormula:
C27H24O12Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(OC3OC(COc4cc(O)c(O)c(O)c4)C(O)C(O)C3O)c1C2=OAglycone:
COc1cc(O)c(O)c(O)c1.Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 540.48 | Num_heavy_atoms: | 39 |
| TPSA: | 203.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD07732
Formula: C15H10O4
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
AD47648
Formula: C7H8O4
Smiles:
COc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.14 | Num_heavy_atoms: | 11 |
| TPSA: | 69.92 | NumAromaticRings: | 1 |
