Glycoside

GD154572
Name:
Okanin 4-Methyl Ether 3'-(6''-Acetylglucoside)Formula:
C24H26O12Smiles:
COc1ccc(C=CC(=O)c2ccc(O)c(OC3OC(COC(C)=O)C(O)C(O)C3O)c2O)cc1OAglycone:
COC(C)=O.COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 3 |
HBD: | 6 | FractionCSP3: | 0.33 |
AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
MolWt: | 506.46 | Num_heavy_atoms: | 36 |
TPSA: | 192.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 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 |
AD21954
Formula: C16H14O6
Smiles:
COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1OHBA: | 6 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.06 |
AlogP: | 2.41 | Num_rotatable_bonds: | 4 |
MolWt: | 302.28 | Num_heavy_atoms: | 22 |
TPSA: | 107.22 | NumAromaticRings: | 2 |