Glycoside
...
GD122245

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

Formula:
C49H76O20

Smiles:
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CCOC7=O)C(O)CC65O)C4)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CCOC3=O)C(O)CC12O

Sugarmoiety:
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 8 FractionCSP3: 0.92
AlogP: 0.61 Num_rotatable_bonds: 11
MolWt: 985.13 Num_heavy_atoms: 69
TPSA: 288.28 NumAromaticRings: 0

Unique Aglycone
AD48835
Formula: C23H34O5

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CCOC3=O)C(O)CC12O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 390.52 Num_heavy_atoms: 28
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD00607

CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O