Glycoside

GD153888
Name:
gnaphaloside aFormula:
C32H30O15Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)cc3o2)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 15 | RingCount: | 5 |
HBD: | 7 | FractionCSP3: | 0.25 |
AlogP: | 1.74 | Num_rotatable_bonds: | 9 |
MolWt: | 654.58 | Num_heavy_atoms: | 47 |
TPSA: | 235.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1HBA: | 4 | RingCount: | 1 |
HBD: | 2 | FractionCSP3: | 0.1 |
AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
MolWt: | 194.19 | Num_heavy_atoms: | 14 |
TPSA: | 66.76 | NumAromaticRings: | 1 |
AD11730
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1OHBA: | 7 | RingCount: | 3 |
HBD: | 3 | FractionCSP3: | 0.12 |
AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
MolWt: | 330.29 | Num_heavy_atoms: | 24 |
TPSA: | 109.36 | NumAromaticRings: | 3 |