Glycoside
...
GD153311

Name:
3a,5a-dihydroxy-7-[(4-hydroxy-5-{[4-hydroxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

Formula:
C61H96O28

Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C=O)C6CCC7(C)C(C8=CC(=O)OC8)CCC7(O)C6CCC5(O)C4)OC3C)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1

Aglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1

Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1

Other Identifiers

Properties
HBA: 28 RingCount: 11
HBD: 11 FractionCSP3: 0.93
AlogP: -1.62 Num_rotatable_bonds: 18
MolWt: 1277.41 Num_heavy_atoms: 89
TPSA: 395.12 NumAromaticRings: 0

Unique Aglycone
AD00229
Formula: C23H32O6

Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 1.9 Num_rotatable_bonds: 2
MolWt: 404.5 Num_heavy_atoms: 29
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD10102

COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(C)O1