Glycoside
...
GD157923

Name:
4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 9-(hydroxymethyl)-2,2,6b,9,12a-pentamethyl-10-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-docosahydropicene-4a-carboxylate

Formula:
C53H88O21

Smiles:
CC1OC(OC2C(OC(=O)C34CCC5C(CCC6C5(C)CCC5C(C)(CO)C(OC7CC(CO)C(O)C(O)C7O)CCC56C)C3CC(C)(C)CC4)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3C(CCC4C3(C)CCC3C(C)(CO)C(OC5CC(CO)C(O)C(O)C5O)CCC34C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 13 FractionCSP3: 0.98
AlogP: -1.04 Num_rotatable_bonds: 11
MolWt: 1061.27 Num_heavy_atoms: 74
TPSA: 344.67 NumAromaticRings: 0

Unique Aglycone
AD62381
Formula: C36H60O8

Smiles:
CC1(C)CCC2(C(=O)O)CCC3C(CCC4C3(C)CCC3C(C)(CO)C(OC5CC(CO)C(O)C(O)C5O)CCC34C)C2C1
HBA: 8 RingCount: 6
HBD: 6 FractionCSP3: 0.97
AlogP: 4.38 Num_rotatable_bonds: 5
MolWt: 620.87 Num_heavy_atoms: 44
TPSA: 147.68 NumAromaticRings: 0

Sugarmoiety
SD05681

CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O