Glycoside

GD131426
Name:
SanangosideFormula:
C23H26O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)C(CO)OC(OCCc2ccc(O)c(O)c2)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 3 |
HBD: | 7 | FractionCSP3: | 0.35 |
AlogP: | 0.13 | Num_rotatable_bonds: | 8 |
MolWt: | 478.45 | Num_heavy_atoms: | 34 |
TPSA: | 186.37 | NumAromaticRings: | 2 |
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 |
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1HBA: | 3 | RingCount: | 1 |
HBD: | 3 | FractionCSP3: | 0.25 |
AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
MolWt: | 154.16 | Num_heavy_atoms: | 11 |
TPSA: | 60.69 | NumAromaticRings: | 1 |