Glycoside
...
GD148746

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

Formula:
C47H76O19

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5(O)C4CC(O)C4(C)C(C(C)=O)CC(O)C54O)C3)OC2C)OC(C)C1OC1CC(O)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

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

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(O)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 8 FractionCSP3: 0.94
AlogP: 0.49 Num_rotatable_bonds: 11
MolWt: 945.11 Num_heavy_atoms: 66
TPSA: 271.21 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
SD09584

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(O)C(OC2OC(C)C(O)C(OC)C2O)C(C)O1