Glycoside
...
GD120225

Name:
1-(3a-hydroxy-7-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-11-[(2-methylbut-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethyl 2-methylbut-2-enoate

Formula:
C58H92O21

Smiles:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(OC)C7O)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(=O)C(C)=CC)C12C

Aglycone:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)C(C)=CC)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 6 FractionCSP3: 0.86
AlogP: 3.83 Num_rotatable_bonds: 17
MolWt: 1125.35 Num_heavy_atoms: 79
TPSA: 275.51 NumAromaticRings: 0

Unique Aglycone
AD48267
Formula: C31H46O6

Smiles:
CC=C(C)C(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)C(C)=CC)C12C
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.74
AlogP: 5.43 Num_rotatable_bonds: 5
MolWt: 514.7 Num_heavy_atoms: 37
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1