Glycoside
...
GD032536

Name:
{6-[7-(acetyloxy)-5'-(1,2-dihydroxy-2-methylpropyl)-3',3a,3b,6,6,9a-hexamethyl-hexadecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate

Formula:
C40H66O12

Smiles:
CC(=O)OCC1OC(O[C@@H]2C[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]3(C)[C@@H]3CC[C@@H]4[C@@]5(CC[C@@]4(C)[C@@]32C)O[C@H]([C@H](O)C(C)(C)O)C[C@H]5C)C(O)C(O)C1O

Aglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC2C4(CCC23C)OC(C(O)C(C)(C)O)CC4C)C1(C)C.COC(C)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 5 FractionCSP3: 0.95
AlogP: 3.65 Num_rotatable_bonds: 7
MolWt: 738.96 Num_heavy_atoms: 52
TPSA: 181.44 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD01436
Formula: C32H54O6

Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC2C4(CCC23C)OC(C(O)C(C)(C)O)CC4C)C1(C)C
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.97
AlogP: 5.25 Num_rotatable_bonds: 3
MolWt: 534.78 Num_heavy_atoms: 38
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O