Glycoside
...
GD140992

Name:
2-{[5-hydroxy-2-(1-{7-hydroxy-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-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

Formula:
C46H76O21

Smiles:
COC1C(O)C(C)OC(OC(C)C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC23C)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.96
AlogP: -2.71 Num_rotatable_bonds: 13
MolWt: 965.09 Num_heavy_atoms: 67
TPSA: 325.83 NumAromaticRings: 0

Unique Aglycone
AD45290
Formula: C21H34O2

Smiles:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 4.31 Num_rotatable_bonds: 1
MolWt: 318.5 Num_heavy_atoms: 23
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD08647

COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O