Glycoside
...
GD020849

Name:
None

Formula:
C44H60O20

Smiles:
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)O1

Aglycone:
COC(C(=O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O

Sugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O

Other 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)C1O
HBA: 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

Sugarmoiety
SD02363

CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O