Glycoside
...
GD134237

Name:
2-{[6-({6-[(3a-{[6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yl)oxy]-4-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C70H116O35

Smiles:
C=C(C)C1CCC2(OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C12

Aglycone:
C=C(C)C1CCC2(O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 35 RingCount: 12
HBD: 21 FractionCSP3: 0.97
AlogP: -6.81 Num_rotatable_bonds: 20
MolWt: 1517.66 Num_heavy_atoms: 105
TPSA: 554.05 NumAromaticRings: 0

Unique Aglycone
AD50171
Formula: C29H48O3

Smiles:
C=C(C)C1CCC2(O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C12
HBA: 3 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 5.72 Num_rotatable_bonds: 2
MolWt: 444.7 Num_heavy_atoms: 32
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD02356

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O