Glycoside
...
GD017414

Name:
2-[2-hydroxy-6-(1-{9-hydroxy-2-[5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3'-[(5-methoxy-6-methyloxan-2-yl)oxy]-2-methyl-[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}ethyl)-5-methoxy-4-[(5-methoxy-6-methyloxan-2-yl)oxy]-3-methyloxan-2-yl]acetic acid

Formula:
C52H88O18

Smiles:
CO[C@H]1CC[C@@H](O[C@@H]2C[C@@H]([C@@H]3O[C@@](C)(O)[C@H](C)C[C@H]3C)O[C@H]2[C@@]2(C)CC[C@@H]([C@@]3(C)CC[C@@]4(C[C@H](O)[C@@H](C)[C@H]([C@@H](C)[C@H]5O[C@@](O)(CC(=O)O)[C@@H](C)[C@@H](O[C@H]6CC[C@@H](OC)[C@H](C)O6)[C@@H]5OC)O4)O3)O2)O[C@H]1C

Aglycone:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C.COC1CCC(O)OC1C

Sugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 4 FractionCSP3: 0.98
AlogP: 5.6 Num_rotatable_bonds: 14
MolWt: 1001.26 Num_heavy_atoms: 70
TPSA: 217.98 NumAromaticRings: 0

Unique Aglycone
AD02920
Formula: C36H62O10

Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C
HBA: 10 RingCount: 6
HBD: 2 FractionCSP3: 1.0
AlogP: 5.24 Num_rotatable_bonds: 7
MolWt: 654.88 Num_heavy_atoms: 46
TPSA: 114.3 NumAromaticRings: 0
AD02921
Formula: C7H14O3

Smiles:
COC1CCC(O)OC1C
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 0.52 Num_rotatable_bonds: 1
MolWt: 146.19 Num_heavy_atoms: 10
TPSA: 38.69 NumAromaticRings: 0

Sugarmoiety
SD01005

COC1C(O)OC(O)(CC(=O)O)C(C)C1O