Glycoside
GD123178
Name:
Glochidionolactone DFormula:
C21H24O12Smiles:
O=C1C=C2CCC(OC3OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C3O)CC2O1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1.O=C1C=C2CCC(O)CC2O1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 468.41 | Num_heavy_atoms: | 33 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD49693
Formula: C8H10O3
Smiles:
O=C1C=C2CCC(O)CC2O1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
