Glycoside
...
GD036108

Name:
None

Formula:
C42H48O19

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCCCCCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=C[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)OCC1OC(OCCCCCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=CC1O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 2 FractionCSP3: 0.48
AlogP: 3.75 Num_rotatable_bonds: 18
MolWt: 856.83 Num_heavy_atoms: 61
TPSA: 248.32 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 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
AD22805
Formula: C28H30O10

Smiles:
CC(=O)OCC1OC(OCCCCCOc2cc(O)c3c(=O)c(-c4ccc(O)cc4)coc3c2)C=CC1O
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.36
AlogP: 3.64 Num_rotatable_bonds: 11
MolWt: 526.54 Num_heavy_atoms: 38
TPSA: 144.89 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O