Glycoside
...
GD036169

Name:
None

Formula:
C28H34O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(=O)[C@@H]2CC[C@@]34COC(=O)[C@@]3(O)CC=C[C@@]4(O)[C@@]2(C)CC(=O)c2ccoc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(CC(=O)c2ccoc2)C(C(=O)O)CCC23COC(=O)C2(O)CC=CC13O.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 5 FractionCSP3: 0.64
AlogP: -0.85 Num_rotatable_bonds: 7
MolWt: 594.57 Num_heavy_atoms: 42
TPSA: 219.49 NumAromaticRings: 1

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
AD22836
Formula: C20H22O8

Smiles:
CC1(CC(=O)c2ccoc2)C(C(=O)O)CCC23COC(=O)C2(O)CC=CC13O
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.55
AlogP: 1.32 Num_rotatable_bonds: 4
MolWt: 390.39 Num_heavy_atoms: 28
TPSA: 134.27 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O