Glycoside
...
GD152681

Name:
1-acetyl-3a,3b-dihydroxy-7-[(5-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-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:
C56H84O18

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)c6ccccc6)C6(C)C(C(C)=O)CCC76O)C5)CC4OC)CC3OC)CC2OC)OC(C)C1O

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

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 3 FractionCSP3: 0.82
AlogP: 5.72 Num_rotatable_bonds: 15
MolWt: 1045.27 Num_heavy_atoms: 74
TPSA: 214.82 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
SD00196

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O