Glycoside
GD130383
Name:
Yopaaoside AFormula:
C27H28O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C1OC1C21C=C(C(=O)c2ccc(O)c(OC)c2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(=O)c2ccc(O)c(OC)c2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 592.51 | Num_heavy_atoms: | 42 |
| TPSA: | 220.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD52838
Formula: C21H18O10
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C21C=C(C(=O)c2ccc(O)c(OC)c2)C(=O)O1| HBA: | 10 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 430.37 | Num_heavy_atoms: | 31 |
| TPSA: | 141.12 | NumAromaticRings: | 1 |
