Glycoside
...
GD153112

Name:
3a,5a-dihydroxy-7-[(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]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carboxylic acid

Formula:
C42H64O20

Smiles:
COC1CC(OC2CCC3(C(=O)O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

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

Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.9
AlogP: -2.03 Num_rotatable_bonds: 11
MolWt: 888.95 Num_heavy_atoms: 62
TPSA: 310.28 NumAromaticRings: 0

Unique Aglycone
AD19489
Formula: C23H32O7

Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C(=O)O)C1(O)CCC2C1=CC(=O)OC1
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.83
AlogP: 1.78 Num_rotatable_bonds: 2
MolWt: 420.5 Num_heavy_atoms: 30
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD00089

COC1CC(O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O