Glycoside

GD002238
Name:
NoneFormula:
C39H56O11Smiles:
CCCCCCCCC=CCCCCCCCC(=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:
CCCCCCCCC=CCCCCCCCC(=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: | 0.59 |
AlogP: | 6.39 | Num_rotatable_bonds: | 23 |
MolWt: | 700.87 | Num_heavy_atoms: | 50 |
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 |
AD02156
Formula: C19H36O2
Smiles:
CCCCCCCCC=CCCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.84 |
AlogP: | 6.2 | Num_rotatable_bonds: | 15 |
MolWt: | 296.49 | Num_heavy_atoms: | 21 |
TPSA: | 26.3 | NumAromaticRings: | 0 |