Glycoside
...
GD120636

Name:
1-acetyl-3a,3b-dihydroxy-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}-9a,11a-dimethyl-10-[(2-methylbut-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11-yl benzoate

Formula:
C60H88O23

Smiles:
CC=C(C)C(=O)OC1C2C3(C)CCC(OC4CC(OC)C(OC5CC(OC)C(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)C(C)O5)C(C)O4)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1

Aglycone:
CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1

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: 23 RingCount: 9
HBD: 7 FractionCSP3: 0.78
AlogP: 2.47 Num_rotatable_bonds: 17
MolWt: 1177.34 Num_heavy_atoms: 83
TPSA: 312.81 NumAromaticRings: 1

Unique Aglycone
AD48489
Formula: C33H42O8

Smiles:
CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)c1ccccc1
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.61
AlogP: 4.07 Num_rotatable_bonds: 5
MolWt: 566.69 Num_heavy_atoms: 41
TPSA: 130.36 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