Glycoside
...
GD135199

Name:
3-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-2,4,5,6-tetrahydroxycyclohexyl 10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C49H80O19

Smiles:
CC1OC(OC2C(CO)OC(OCC3C(O)C(O)C(O)C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7CCC6(C)C4(C)CC5)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)OC3C(O)C(O)C(O)C(CO)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 13 FractionCSP3: 0.94
AlogP: -1.25 Num_rotatable_bonds: 9
MolWt: 973.16 Num_heavy_atoms: 68
TPSA: 326.21 NumAromaticRings: 0

Unique Aglycone
AD54673
Formula: C37H60O10

Smiles:
CC1(C)CCC2(C(=O)OC3C(O)C(O)C(O)C(CO)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 10 RingCount: 6
HBD: 8 FractionCSP3: 0.92
AlogP: 2.07 Num_rotatable_bonds: 4
MolWt: 664.88 Num_heavy_atoms: 47
TPSA: 188.14 NumAromaticRings: 0

Sugarmoiety
SD01124

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O