Glycoside
...
GD152226

Name:
2-[(5-hydroxy-2-{1-[2-hydroxy-7-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-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]ethoxy}-4-methoxy-6-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C47H78O18

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC(O)C4C(C)OC4OC(C)C(O)C(OC)C4OC4OC(CO)C(O)C(O)C4O)C3)OC2C)OC(C)C1O

Aglycone:
CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
COC1C(O)C(C)OC(O)C1OC1OC(CO)C(O)C(O)C1O.COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 8 FractionCSP3: 0.96
AlogP: 1.02 Num_rotatable_bonds: 12
MolWt: 931.12 Num_heavy_atoms: 65
TPSA: 254.14 NumAromaticRings: 0

Unique Aglycone
AD46948
Formula: C21H34O3

Smiles:
CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 3.28 Num_rotatable_bonds: 1
MolWt: 334.5 Num_heavy_atoms: 24
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD09995

COC1C(O)C(C)OC(O)C1OC1OC(CO)C(O)C(O)C1O.COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1O