Glycoside
...
GD119780

Name:
3-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3-hydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl 8,10,11-trihydroxy-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:
C57H92O26

Smiles:
CC1OC(OC2C(C)OC(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7C(O)CC6(C)C4(C)CC5)OCC(O)C3O)C(O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(O)OCC(O)C3O)C(O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 10
HBD: 15 FractionCSP3: 0.95
AlogP: -3.32 Num_rotatable_bonds: 12
MolWt: 1193.34 Num_heavy_atoms: 83
TPSA: 412.82 NumAromaticRings: 0

Unique Aglycone
AD09184
Formula: C30H48O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD05501

CC1OC(OC2C(C)OC(OC3C(O)OCC(O)C3O)C(O)C2OC2OCC(O)(CO)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O