Glycoside
...
GD138415

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

Formula:
C49H80O18

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(O)C6(C)C(C(C)=O)CC(O)C76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1CC(O)C2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 5 FractionCSP3: 0.94
AlogP: 2.83 Num_rotatable_bonds: 13
MolWt: 957.16 Num_heavy_atoms: 67
TPSA: 228.98 NumAromaticRings: 0

Unique Aglycone
AD46526
Formula: C21H32O6

Smiles:
CC(=O)C1CC(O)C2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.86
AlogP: 0.69 Num_rotatable_bonds: 1
MolWt: 380.48 Num_heavy_atoms: 27
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD00196

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O