Glycoside
...
GD139506

Name:
1-acetyl-3a,3b-dihydroxy-7-[(5-{[4-hydroxy-5-({4-hydroxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-4-methoxy-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-11-yl benzoate

Formula:
C60H90O23

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Aglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 8 FractionCSP3: 0.83
AlogP: 2.24 Num_rotatable_bonds: 16
MolWt: 1179.36 Num_heavy_atoms: 83
TPSA: 315.97 NumAromaticRings: 1

Unique Aglycone
AD49501
Formula: C28H36O6

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.64
AlogP: 3.58 Num_rotatable_bonds: 3
MolWt: 468.59 Num_heavy_atoms: 34
TPSA: 104.06 NumAromaticRings: 1

Sugarmoiety
SD04967

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)C(C)O1