Glycoside
...
GD139741

Name:
2-{[2-({2-[(10,12-dihydroxy-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl)methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C49H82O19

Smiles:
COC1C=C2C3CC(C)(C)CCC3(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC2(C)C2(C)CCC3C(C)(C)C(O)CC(O)C3(C)C12

Aglycone:
COC1C=C2C3CC(C)(C)CCC3(CO)CCC2(C)C2(C)CCC3C(C)(C)C(O)CC(O)C3(C)C12

Sugarmoiety:
OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: -0.79 Num_rotatable_bonds: 11
MolWt: 975.18 Num_heavy_atoms: 68
TPSA: 307.37 NumAromaticRings: 0

Unique Aglycone
AD48938
Formula: C31H52O4

Smiles:
COC1C=C2C3CC(C)(C)CCC3(CO)CCC2(C)C2(C)CCC3C(C)(C)C(O)CC(O)C3(C)C12
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.94
AlogP: 5.74 Num_rotatable_bonds: 2
MolWt: 488.75 Num_heavy_atoms: 35
TPSA: 69.92 NumAromaticRings: 0

Sugarmoiety
SD01593

OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O