Glycoside
...
GD118610

Name:
6-({6-[(6-{[2,3a,11-trihydroxy-9a,11a-dimethyl-1-(5-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:
C49H76O21

Smiles:
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)C(O)CC65O)C4)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)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: 21 RingCount: 9
HBD: 9 FractionCSP3: 0.92
AlogP: -0.42 Num_rotatable_bonds: 11
MolWt: 1001.13 Num_heavy_atoms: 70
TPSA: 308.51 NumAromaticRings: 0

Unique Aglycone
AD12701
Formula: C23H34O6

Smiles:
CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3)C(O)CC12O
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 1.55 Num_rotatable_bonds: 1
MolWt: 406.52 Num_heavy_atoms: 29
TPSA: 107.22 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