Glycoside
...
GD039383

Name:
(2~{r},3~{s},4~{s},5~{s},6~{s})-2-(hydroxymethyl)-6-[(2~{r},3~{s},4~{r},5~{r},6~{r})-2-(hydroxymethyl)-6-[2-[[(2~{r},3~{s},4~{r},5~{r},6~{s})-6-(hydroxymethyl)-5-[(2~{s},3~{r},4~{s},5~{s},6~{r})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]-4-[(1~{r},2~{r},4~{s},5'~{r},6~{r},7~{r},8~{r},9~{s},12~{s},13~{r},16~{s})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxy-butoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol

Formula:
C56H92O25

Smiles:
C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@H](OCCC(CO[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CO[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@]32C)O[C@@]12CC[C@@H](C)CO2

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OCCC(CO)CO)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 10
HBD: 14 FractionCSP3: 0.96
AlogP: -2.97 Num_rotatable_bonds: 18
MolWt: 1165.33 Num_heavy_atoms: 81
TPSA: 384.75 NumAromaticRings: 0

Unique Aglycone
AD24384
Formula: C32H52O5

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OCCC(CO)CO)CCC5(C)C4CCC3(C)C1C2C
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.94
AlogP: 5.73 Num_rotatable_bonds: 6
MolWt: 516.76 Num_heavy_atoms: 37
TPSA: 68.15 NumAromaticRings: 0

Sugarmoiety
SD00625

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O