Glycoside
...
GD122567

Name:
6-[({5-[(4,5-dihydroxy-3,6-dimethyloxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl 9,12-dihydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:
C49H80O17

Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5C)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(C)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 10 FractionCSP3: 0.94
AlogP: 1.27 Num_rotatable_bonds: 9
MolWt: 941.16 Num_heavy_atoms: 66
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD10656
Formula: C30H48O4

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.06 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD06006

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(C)C(O)C1O