Glycoside
GD123270
Name:
Pc-766BFormula:
C43H68O12Smiles:
CC=CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC2OC)CC(OC2CC(O)C(O)C(C)O2)C1CAglycone:
CC=CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | 5.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 777.01 | Num_heavy_atoms: | 55 |
| TPSA: | 173.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD49724
Formula: C37H58O9
Smiles:
CC=CC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC2OC)CC(O)C1C| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 646.86 | Num_heavy_atoms: | 46 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
