Glycoside
GD138952
Name:
Orsellinylmontagnetol DFormula:
C28H28O13Smiles:
Cc1cc(O)cc(O)c1C(=O)OCC(O)C(COC(=O)c1c(C)cc(O)cc1O)OC(=O)c1c(C)cc(O)cc1OAglycone:
Cc1cc(O)cc(O)c1C=O.Cc1cc(O)cc(O)c1C=O.Cc1cc(O)cc(O)c1C=OSugarmoiety:
OOCC(O)C(COO)OOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.25 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 572.52 | Num_heavy_atoms: | 41 |
| TPSA: | 220.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD13193
Formula: C8H8O3
Smiles:
Cc1cc(O)cc(O)c1C=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
