Glycoside
GD147982
Name:
Dodegranoside CFormula:
C42H38O20Smiles:
O=C(OCC1OC(Oc2ccccc2O)C(O)C(O)C1O)c1cc2ccc(O)c3c2c(c1C(=O)OCC1OC(Oc2ccccc2O)C(O)C(O)C1O)-c1cc(O)c(O)cc1O3Aglycone:
COC(=O)c1cc2ccc(O)c3c2c(c1C(=O)OC)-c1cc(O)c(O)cc1O3.Oc1ccccc1O.Oc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.29 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 10 |
| MolWt: | 862.75 | Num_heavy_atoms: | 62 |
| TPSA: | 321.28 | NumAromaticRings: | 5 |
Unique Aglycone
AD02518
Formula: C6H6O2
Smiles:
Oc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD59237
Formula: C20H14O8
Smiles:
COC(=O)c1cc2ccc(O)c3c2c(c1C(=O)OC)-c1cc(O)c(O)cc1O3| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.1 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 382.32 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 3 |
