Glycoside
...
GD006695

Name:
None

Formula:
C53H92O18

Smiles:
CO[C@H]1CC[C@@H](O[C@@H]2C[C@@H]([C@H](O)[C@H](C)C[C@H](C)C(C)(C)O)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(C(O)C(C)CC(C)C(C)(C)O)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: 7
HBD: 5 FractionCSP3: 0.98
AlogP: 5.63 Num_rotatable_bonds: 18
MolWt: 1017.3 Num_heavy_atoms: 71
TPSA: 228.98 NumAromaticRings: 0

Unique Aglycone
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
AD05508
Formula: C37H66O10

Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C(O)C(C)CC(C)C(C)(C)O)CC4OC4CCC(OC)C(C)O4)O3)O2)CC(O)C1C
HBA: 10 RingCount: 5
HBD: 3 FractionCSP3: 1.0
AlogP: 5.26 Num_rotatable_bonds: 11
MolWt: 670.93 Num_heavy_atoms: 47
TPSA: 125.3 NumAromaticRings: 0

Sugarmoiety
SD01005

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