Glycoside

GD143219
Name:
Hymenoside VFormula:
C20H26O10Smiles:
CC(=CCO)COC1OC(CO)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1OAglycone:
CC(=CCO)CO.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 2 |
HBD: | 6 | FractionCSP3: | 0.45 |
AlogP: | -0.58 | Num_rotatable_bonds: | 8 |
MolWt: | 426.42 | Num_heavy_atoms: | 30 |
TPSA: | 166.14 | NumAromaticRings: | 1 |
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 |
AD15409
Formula: C5H10O2
Smiles:
CC(=CCO)COHBA: | 2 | RingCount: | 0 |
HBD: | 2 | FractionCSP3: | 0.6 |
AlogP: | -0.08 | Num_rotatable_bonds: | 2 |
MolWt: | 102.13 | Num_heavy_atoms: | 7 |
TPSA: | 40.46 | NumAromaticRings: | 0 |