Glycoside
GD021873
Name:
NoneFormula:
C26H28O10Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(C)=O.Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.5 | Num_heavy_atoms: | 36 |
| TPSA: | 155.89 | NumAromaticRings: | 3 |
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 |
AD02786
Formula: C18H16O4
Smiles:
Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.32 | Num_heavy_atoms: | 22 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
