Glycoside
...
GD123216

Name:
1-[1-(benzoyloxy)ethyl]-3a,5a-dihydroxy-7-{[5-({4-hydroxy-5-[(5-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl benzoate

Formula:
C60H84O21

Smiles:
COC1CC(OC2CCC3(C)C4CC(OC(=O)c5ccccc5)C5(C)C(C(C)OC(=O)c6ccccc6)CCC5(O)C4C=CC3(O)C2)OC(C)C1OC1CC(O)C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(C)O2)C(C)O1

Aglycone:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 21 RingCount: 10
HBD: 8 FractionCSP3: 0.73
AlogP: 3.21 Num_rotatable_bonds: 15
MolWt: 1141.31 Num_heavy_atoms: 81
TPSA: 297.51 NumAromaticRings: 2

Unique Aglycone
AD49708
Formula: C35H42O7

Smiles:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3C=CC4(O)CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.54
AlogP: 5.09 Num_rotatable_bonds: 5
MolWt: 574.71 Num_heavy_atoms: 42
TPSA: 113.29 NumAromaticRings: 2

Sugarmoiety
SD05572

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(OC3OC(CO)C(O)C(O)C3O)C(O)C(C)O2)C(C)O1