Glycoside
...
GD137285

Name:
5-hydroxy-2-({6-[(1-{1-[(5-hydroxy-4-methoxy-6-methyl-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]ethyl}-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-6-methyloxan-3-yl acetate

Formula:
C56H92O24

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)OC5OC(C)C(O)C(OC)C5OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC43)C2)OC(C)C1OC1OC(C)C(O)C(OC)C1OC(C)=O

Aglycone:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OC(C)=O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 9 FractionCSP3: 0.95
AlogP: 0.07 Num_rotatable_bonds: 17
MolWt: 1149.33 Num_heavy_atoms: 80
TPSA: 328.36 NumAromaticRings: 0

Unique Aglycone
AD45290
Formula: C21H34O2

Smiles:
CC(O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
HBA: 2 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 4.31 Num_rotatable_bonds: 1
MolWt: 318.5 Num_heavy_atoms: 23
TPSA: 40.46 NumAromaticRings: 0

Sugarmoiety
SD07080

COC1C(O)C(C)OC(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.COC1CC(O)OC(C)C1OC1OC(C)C(O)C(OC)C1OC(C)=O