Glycoside

GD110389
Name:
[3,4,5-tris(acetyloxy)-6-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetateFormula:
C28H28O12Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(oc(=O)c4ccccc43)c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cc1c(O)ccc2c1oc(=O)c1ccccc12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 12 | RingCount: | 4 |
HBD: | 0 | FractionCSP3: | 0.39 |
AlogP: | 2.72 | Num_rotatable_bonds: | 7 |
MolWt: | 556.52 | Num_heavy_atoms: | 40 |
TPSA: | 153.87 | NumAromaticRings: | 3 |
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 |
AD10480
Formula: C14H10O3
Smiles:
Cc1c(O)ccc2c1oc(=O)c1ccccc12HBA: | 3 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.07 |
AlogP: | 2.96 | Num_rotatable_bonds: | 0 |
MolWt: | 226.23 | Num_heavy_atoms: | 17 |
TPSA: | 50.44 | NumAromaticRings: | 3 |