Glycoside
GD114948
Name:
4,5-dihydroxy-2-(4-hydroxy-3-methoxyphenoxy)-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoateFormula:
C27H26O16Smiles:
COc1cc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2OC(=O)c2cc(O)c(O)c(O)c2)ccc1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(O)ccc1O.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.26 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 606.49 | Num_heavy_atoms: | 43 |
| TPSA: | 262.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00096
Formula: C7H8O3
Smiles:
COc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
