Glycoside
GD109882
Name:
NoneFormula:
C29H30O12Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)O[C@H](c2ccccc2)CC3=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C1CC(c2ccccc2)Oc2cc(O)ccc21Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 570.55 | Num_heavy_atoms: | 41 |
| TPSA: | 149.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD38135
Formula: C15H12O3
Smiles:
O=C1CC(c2ccccc2)Oc2cc(O)ccc21| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.26 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
