Glycoside
...
GD139186

Name:
1-[11-(acetyloxy)-1,3a-dihydroxy-7-[(5-{[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}-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethyl 2-methylbutanoate

Formula:
C62H104O25

Smiles:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(OC)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CC(OC(C)=O)C12C

Aglycone:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 7 FractionCSP3: 0.97
AlogP: 2.69 Num_rotatable_bonds: 20
MolWt: 1249.49 Num_heavy_atoms: 87
TPSA: 323.43 NumAromaticRings: 0

Unique Aglycone
AD45352
Formula: C28H46O7

Smiles:
CCC(C)C(=O)OC(C)C1(O)CCC2(O)C3CCC4CC(O)CCC4(C)C3CC(OC(C)=O)C12C
HBA: 7 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 3.76 Num_rotatable_bonds: 5
MolWt: 494.67 Num_heavy_atoms: 35
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00904

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1