Glycoside
...
GD140058

Name:
(6-{[11-(acetyloxy)-1-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

Formula:
C40H66O12

Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(OC(C)=O)C3C4(C)CCC3(O)C3(C)CCC(C(C)(C)O)O3)C2(C)C)C(O)C(O)C1O

Aglycone:
CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(O)(C3(C)CCC(C(C)(C)O)O3)C12.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 5 FractionCSP3: 0.95
AlogP: 3.79 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
AD56471
Formula: C32H54O6

Smiles:
CC(=O)OC1CC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C2(C)CCC(O)(C3(C)CCC(C(C)(C)O)O3)C12
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.97
AlogP: 5.4 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