Glycoside
...
GD155617

Name:
6-({6-[(6-{[2-(formyloxy)-3a-hydroxy-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:
C50H76O21

Smiles:
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)C(OC=O)CC65O)C4)OC3C)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=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: 7 FractionCSP3: 0.9
AlogP: 0.79 Num_rotatable_bonds: 13
MolWt: 1013.14 Num_heavy_atoms: 71
TPSA: 294.35 NumAromaticRings: 0

Unique Aglycone
AD04703
Formula: C24H34O6

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 2.76 Num_rotatable_bonds: 3
MolWt: 418.53 Num_heavy_atoms: 30
TPSA: 93.06 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