Glycoside
...
GD152449

Name:
1-acetyl-1,3a,3b-trihydroxy-7-[(4-hydroxy-5-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-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:
C54H80O19

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

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

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

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 6 FractionCSP3: 0.81
AlogP: 3.53 Num_rotatable_bonds: 13
MolWt: 1033.22 Num_heavy_atoms: 73
TPSA: 257.05 NumAromaticRings: 1

Unique Aglycone
AD11133
Formula: C28H36O7

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.64
AlogP: 2.7 Num_rotatable_bonds: 3
MolWt: 484.59 Num_heavy_atoms: 35
TPSA: 124.29 NumAromaticRings: 1

Sugarmoiety
SD04729

COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)CC2OC)OC(C)C1O