Glycoside

GD002157
Name:
NoneFormula:
C40H60O11Smiles:
CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCCCC(=O)OC.O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.65 |
AlogP: | 7.0 | Num_rotatable_bonds: | 25 |
MolWt: | 716.91 | Num_heavy_atoms: | 51 |
TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OHBA: | 5 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.13 |
AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
MolWt: | 274.27 | Num_heavy_atoms: | 20 |
TPSA: | 97.99 | NumAromaticRings: | 2 |
AD02089
Formula: C20H40O2
Smiles:
CCCCCCCCCCCCCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.95 |
AlogP: | 6.81 | Num_rotatable_bonds: | 17 |
MolWt: | 312.54 | Num_heavy_atoms: | 22 |
TPSA: | 26.3 | NumAromaticRings: | 0 |