Glycoside

GD131084
Name:
NoneFormula:
C30H36O15Smiles:
COc1cc(-c2oc3cc(=O)cc(O)c-3cc2OC2OC(COC3CC(C)C(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC1CC(C)C(O)C(O)C1O.COc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)cc(OC)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 8 | FractionCSP3: | 0.5 |
AlogP: | -0.47 | Num_rotatable_bonds: | 8 |
MolWt: | 636.6 | Num_heavy_atoms: | 45 |
TPSA: | 238.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD46936
Formula: C8H16O4
Smiles:
COC1CC(C)C(O)C(O)C1OHBA: | 4 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 1.0 |
AlogP: | -0.88 | Num_rotatable_bonds: | 1 |
MolWt: | 176.21 | Num_heavy_atoms: | 12 |
TPSA: | 69.92 | NumAromaticRings: | 0 |
AD53114
Formula: C17H14O7
Smiles:
COc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)cc(OC)c1OHBA: | 7 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.12 |
AlogP: | 2.55 | Num_rotatable_bonds: | 3 |
MolWt: | 330.29 | Num_heavy_atoms: | 24 |
TPSA: | 109.36 | NumAromaticRings: | 1 |