Glycoside
...
GD152997

Name:
2-[(2,3-dihydroxy-4-{[8-hydroxy-8a,11-bis(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohexyl)oxy]-6-methyloxane-3,4,5-triol

Formula:
C49H80O17

Smiles:
CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)CC(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6CC(C)(CO)CCC6(CO)C(O)CC45C)C3(C)C)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(CO)CCC2(CO)C(=C3C=CC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC2O)C1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 12 FractionCSP3: 0.92
AlogP: 0.17 Num_rotatable_bonds: 10
MolWt: 941.16 Num_heavy_atoms: 66
TPSA: 288.91 NumAromaticRings: 0

Unique Aglycone
AD60877
Formula: C37H60O8

Smiles:
CC1(CO)CCC2(CO)C(=C3C=CC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC2O)C1
HBA: 8 RingCount: 6
HBD: 7 FractionCSP3: 0.89
AlogP: 3.49 Num_rotatable_bonds: 5
MolWt: 632.88 Num_heavy_atoms: 45
TPSA: 150.84 NumAromaticRings: 0

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O