Glycoside
...
GD156919

Name:
1-[1-(benzoyloxy)ethyl]-7-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-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:
C54H74O15

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(OC(=O)c3ccccc3)C3(C)C(C(C)OC(=O)c5ccccc5)CCC43O)C2)OC(C)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1

Aglycone:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 15 RingCount: 9
HBD: 4 FractionCSP3: 0.7
AlogP: 6.42 Num_rotatable_bonds: 12
MolWt: 963.17 Num_heavy_atoms: 69
TPSA: 198.13 NumAromaticRings: 2

Unique Aglycone
AD47847
Formula: C35H42O6

Smiles:
CC(OC(=O)c1ccccc1)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.54
AlogP: 6.12 Num_rotatable_bonds: 5
MolWt: 558.72 Num_heavy_atoms: 41
TPSA: 93.06 NumAromaticRings: 2

Sugarmoiety
SD10522

COC1CC(O)OC(C)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1