Glycoside
...
GD125298

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

Formula:
C62H100O25

Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7OC(C)C(OC8OC(CO)C(O)C(O)C8O)C(OC)C7O)C(OC)C6O)C(C)O5)C(C)O4)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12C

Aglycone:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 7 FractionCSP3: 0.9
AlogP: 2.39 Num_rotatable_bonds: 19
MolWt: 1245.46 Num_heavy_atoms: 87
TPSA: 323.43 NumAromaticRings: 0

Unique Aglycone
AD45690
Formula: C28H42O6

Smiles:
CC=C(C)C(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(C(C)OC(C)=O)C12C
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.79
AlogP: 4.48 Num_rotatable_bonds: 4
MolWt: 474.64 Num_heavy_atoms: 34
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD06165

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(OC)C2O)C(C)O1