Glycoside
...
GD039532

Name:
(2~{s},3~{r},4~{r},5~{s},6~{s})-2-(hydroxymethyl)-6-[(1~{s},2~{r},3~{r},4~{r},5'~{s},6~{s},7~{r},8~{s},9~{r},12~{r},13~{r},15~{s},16~{s},18~{r})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol

Formula:
C33H54O10

Smiles:
C[C@H]1[C@@H]2[C@H](O[C@@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@@]21C

Aglycone:
CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 7
HBD: 6 FractionCSP3: 1.0
AlogP: 1.56 Num_rotatable_bonds: 3
MolWt: 610.78 Num_heavy_atoms: 43
TPSA: 158.3 NumAromaticRings: 0

Unique Aglycone
AD03920
Formula: C27H44O5

Smiles:
CC1CCC2(OC1)OC1C(O)C3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C1C2C
HBA: 5 RingCount: 6
HBD: 3 FractionCSP3: 1.0
AlogP: 3.74 Num_rotatable_bonds: 0
MolWt: 448.64 Num_heavy_atoms: 32
TPSA: 79.15 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O