Glycoside
...
GD037528

Name:
None

Formula:
C43H58O16

Smiles:
CCCC=CC=C[C@H](O)CC=CC=CC(=O)O[C@H]1[C@H](O)[C@@]2(OCc3cc(O)cc(O)c32)O[C@@H](CO)[C@H]1O[C@@H]1O[C@H](COC(=O)C=CC=CCCCCC)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CCCC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O.CCCCCC=CC=CC(=O)OC

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

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 8 FractionCSP3: 0.53
AlogP: 2.65 Num_rotatable_bonds: 20
MolWt: 830.92 Num_heavy_atoms: 59
TPSA: 251.36 NumAromaticRings: 1

Unique Aglycone
AD10019
Formula: C11H18O2

Smiles:
CCCCCC=CC=CC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.55
AlogP: 2.85 Num_rotatable_bonds: 6
MolWt: 182.26 Num_heavy_atoms: 13
TPSA: 26.3 NumAromaticRings: 0
AD23630
Formula: C27H34O10

Smiles:
CCCC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.44
AlogP: 1.58 Num_rotatable_bonds: 10
MolWt: 518.56 Num_heavy_atoms: 37
TPSA: 166.14 NumAromaticRings: 1

Sugarmoiety
SD00017

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