Glycoside

GD035656
Name:
NoneFormula:
C35H42O17Smiles:
CC=C1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C(C(=O)OC)[C@H]1CC(=O)OCCc1ccc2c(c1)OCCO2Aglycone:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc2c(c1)OCCO2.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 17 | RingCount: | 4 |
HBD: | 0 | FractionCSP3: | 0.54 |
AlogP: | 2.01 | Num_rotatable_bonds: | 13 |
MolWt: | 734.7 | Num_heavy_atoms: | 52 |
TPSA: | 203.95 | NumAromaticRings: | 1 |
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 |
AD16718
Formula: C21H24O8
Smiles:
CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCCc1ccc2c(c1)OCCO2HBA: | 8 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.43 |
AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
MolWt: | 404.42 | Num_heavy_atoms: | 29 |
TPSA: | 100.52 | NumAromaticRings: | 1 |