Glycoside
GD147490
Name:
NoneFormula:
C36H38O16Smiles:
COc1cc2ccc(=O)oc2cc1OC1C(OC2CC(Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)OC(O)C2O)OC(C)C(O)C1OAglycone:
COc1cc2ccc(=O)oc2cc1O.O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(OC2CC(O)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 11 |
| MolWt: | 726.68 | Num_heavy_atoms: | 52 |
| TPSA: | 244.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
AD09078
Formula: C10H8O4
Smiles:
COc1cc2ccc(=O)oc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.17 | Num_heavy_atoms: | 14 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
