Glycoside
GD118817
Name:
NoneFormula:
C44H50O25Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(COC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5O)C4CC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C3O)c(=O)c2c1OAglycone:
CC(=O)C=Cc1ccc(O)c(O)c1.COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 15 | FractionCSP3: | 0.45 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 15 |
| MolWt: | 978.86 | Num_heavy_atoms: | 69 |
| TPSA: | 415.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD01718
Formula: C16H12O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
AD23541
Formula: C10H10O3
Smiles:
CC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
