Glycoside
...
GD120401

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

Formula:
C37H60O12

Smiles:
CCC1C(O)C(C(C)C2(O)C(O)CC3C4=CCC5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC1(C)COC(C)=O

Aglycone:
CCC1C(O)C(C(C)C2(O)C(O)CC3C4=CCC5CC(O)CCC5(C)C4CCC32C)OC1(C)COC(C)=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 7 FractionCSP3: 0.92
AlogP: 1.58 Num_rotatable_bonds: 8
MolWt: 696.87 Num_heavy_atoms: 49
TPSA: 195.6 NumAromaticRings: 0

Unique Aglycone
AD01236
Formula: C31H50O7

Smiles:
CCC1C(O)C(C(C)C2(O)C(O)CC3C4=CCC5CC(O)CCC5(C)C4CCC32C)OC1(C)COC(C)=O
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.9
AlogP: 3.76 Num_rotatable_bonds: 5
MolWt: 534.73 Num_heavy_atoms: 38
TPSA: 116.45 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O