Glycoside
GD034232
Name:
NoneFormula:
C27H32O9Smiles:
CCOC(=O)OC[C@@H]1O[C@H](c2ccc(C3CC3)c(Cc3ccc4c(c3)OCCO4)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCOC(=O)OC.c1ccc(C2CC2)c(Cc2ccc3c(c2)OCCO3)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 500.54 | Num_heavy_atoms: | 36 |
| TPSA: | 123.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD12477
Formula: C4H8O3
Smiles:
CCOC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 35.53 | NumAromaticRings: | 0 |
AD15947
Formula: C18H18O2
Smiles:
c1ccc(C2CC2)c(Cc2ccc3c(c2)OCCO3)c1| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.34 | Num_heavy_atoms: | 20 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
