Glycoside

GD138259
Name:
AmericaninFormula:
C36H40O14Smiles:
COc1ccc(CC2COC(=O)C2Cc2ccc(OC3OC(CO)C(O)C(OC(=O)C=Cc4ccc(O)c(O)c4)C3O)c(OC)c2)cc1OCAglycone:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 14 | RingCount: | 5 |
HBD: | 5 | FractionCSP3: | 0.39 |
AlogP: | 2.14 | Num_rotatable_bonds: | 13 |
MolWt: | 696.7 | Num_heavy_atoms: | 50 |
TPSA: | 199.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.0 |
AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
MolWt: | 180.16 | Num_heavy_atoms: | 13 |
TPSA: | 77.76 | NumAromaticRings: | 1 |
AD12673
Formula: C21H24O6
Smiles:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1OHBA: | 6 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.38 |
AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
MolWt: | 372.42 | Num_heavy_atoms: | 27 |
TPSA: | 74.22 | NumAromaticRings: | 2 |