Glycoside
...
GD114610

Name:
2-[(6-{[6-({6-[(6-{[3a,10,11-trihydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4-methoxy-2-methyloxan-3-yl)oxy]-4-methoxy-2-methyloxan-3-yl}oxy)-4-methoxy-2-methyloxan-3-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C55H92O23

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(O)C(O)C3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 9 FractionCSP3: 0.96
AlogP: 0.3 Num_rotatable_bonds: 16
MolWt: 1121.32 Num_heavy_atoms: 78
TPSA: 311.29 NumAromaticRings: 0

Unique Aglycone
AD45162
Formula: C21H34O5

Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.9
AlogP: 1.36 Num_rotatable_bonds: 1
MolWt: 366.5 Num_heavy_atoms: 26
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00904

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1