Glycoside

GD020849
Name:
NoneFormula:
C44H60O20Smiles:
CO[C@H](C(=O)C(C)=O)[C@@H]1Cc2cc3cc(O[C@@H]4C[C@H](O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)[C@H](O)[C@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@@H]1C[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](O)[C@H](C)O1Aglycone:
COC(C(=O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1OSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
HBA: | 20 | RingCount: | 7 |
HBD: | 8 | FractionCSP3: | 0.7 |
AlogP: | 0.33 | Num_rotatable_bonds: | 12 |
MolWt: | 908.94 | Num_heavy_atoms: | 64 |
TPSA: | 296.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD12425
Formula: C20H20O8
Smiles:
COC(C(=O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1OHBA: | 8 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.35 |
AlogP: | 1.15 | Num_rotatable_bonds: | 4 |
MolWt: | 388.37 | Num_heavy_atoms: | 28 |
TPSA: | 141.36 | NumAromaticRings: | 2 |