Glycoside
...
GD157655

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

Formula:
C49H78O19

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(O)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC(C)=O)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(O)OC4C)CC3OC(C)=O)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 6 FractionCSP3: 0.92
AlogP: 2.23 Num_rotatable_bonds: 12
MolWt: 971.14 Num_heavy_atoms: 68
TPSA: 257.05 NumAromaticRings: 0

Unique Aglycone
AD18254
Formula: C21H32O6

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.86
AlogP: 0.83 Num_rotatable_bonds: 1
MolWt: 380.48 Num_heavy_atoms: 27
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD10604

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(O)OC4C)CC3OC(C)=O)CC2OC)OC(C)C1O