Glycoside

GD022299
Name:
NoneFormula:
C30H29O12FSmiles:
CC(=O)O[C@@H]1[C@@H](F)[C@@H](O[C@@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)O[C@@H](C)[C@H]1OC(C)=OAglycone:
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1ccccc1C3=OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(F)C1OC(C)=OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.43 |
AlogP: | 2.14 | Num_rotatable_bonds: | 5 |
MolWt: | 600.55 | Num_heavy_atoms: | 43 |
TPSA: | 182.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD03224
Formula: C20H16O7
Smiles:
CC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1ccccc1C3=OHBA: | 7 | RingCount: | 4 |
HBD: | 4 | FractionCSP3: | 0.25 |
AlogP: | 1.17 | Num_rotatable_bonds: | 1 |
MolWt: | 368.34 | Num_heavy_atoms: | 27 |
TPSA: | 132.13 | NumAromaticRings: | 2 |