Glycoside

GD028917
Name:
NoneFormula:
C42H40O17Smiles:
CC1=CC(O)=C2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cccc3C(c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4(O)[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)=C2C1=OAglycone:
CC1=CC(O)=C2C(=O)c3c(O)cccc3C(c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4O)=C2C1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 17 | RingCount: | 8 |
HBD: | 11 | FractionCSP3: | 0.36 |
AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
MolWt: | 816.77 | Num_heavy_atoms: | 59 |
TPSA: | 301.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD18854
Formula: C30H20O8
Smiles:
CC1=CC(O)=C2C(=O)c3c(O)cccc3C(c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4O)=C2C1=OHBA: | 8 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.1 |
AlogP: | 4.08 | Num_rotatable_bonds: | 1 |
MolWt: | 508.48 | Num_heavy_atoms: | 38 |
TPSA: | 152.36 | NumAromaticRings: | 3 |