Glycoside
...
GD128460

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

Formula:
C58H88O21

Smiles:
COC1CC(OC2CCC3(C)C4CC(OC(=O)c5ccccc5)C5(C)C(C(C)OC(C)=O)CCC5(O)C4C=CC3(C)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

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

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 6 FractionCSP3: 0.83
AlogP: 3.47 Num_rotatable_bonds: 16
MolWt: 1121.32 Num_heavy_atoms: 79
TPSA: 275.51 NumAromaticRings: 1

Unique Aglycone
AD51670
Formula: C31H42O6

Smiles:
CC(=O)OC(C)C1CCC2(O)C3C=CC4(C)CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.68
AlogP: 5.07 Num_rotatable_bonds: 4
MolWt: 510.67 Num_heavy_atoms: 37
TPSA: 93.06 NumAromaticRings: 1

Sugarmoiety
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1