Glycoside
...
GD151157

Name:
7-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1,6-dione

Formula:
C48H72O18

Smiles:
COC1CC(OC2CC3=CCC4C(=O)C(C)(c5ccoc5C)CCC4C3(C)CC2=O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
Cc1occc1C1(C)CCC2C(CC=C3CC(O)C(=O)CC32C)C1=O

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 4 FractionCSP3: 0.83
AlogP: 2.93 Num_rotatable_bonds: 13
MolWt: 937.09 Num_heavy_atoms: 66
TPSA: 229.73 NumAromaticRings: 1

Unique Aglycone
AD46782
Formula: C21H26O4

Smiles:
Cc1occc1C1(C)CCC2C(CC=C3CC(O)C(=O)CC32C)C1=O
HBA: 4 RingCount: 4
HBD: 1 FractionCSP3: 0.62
AlogP: 3.5 Num_rotatable_bonds: 1
MolWt: 342.44 Num_heavy_atoms: 25
TPSA: 67.51 NumAromaticRings: 1

Sugarmoiety
SD02036

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