Glycoside
...
GD131184

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

Formula:
C46H80O19

Smiles:
CC(C)C(OC1OC(C)C(O)C(O)C1O)C(O)CC(C)C1C(O)CC2(C)C3CC(O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C

Aglycone:
CC(C)C(O)C(O)CC(C)C1C(O)CC2(C)C3CC(O)C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 13 FractionCSP3: 1.0
AlogP: -1.76 Num_rotatable_bonds: 13
MolWt: 937.13 Num_heavy_atoms: 65
TPSA: 318.37 NumAromaticRings: 0

Unique Aglycone
AD53155
Formula: C28H50O5

Smiles:
CC(C)C(O)C(O)CC(C)C1C(O)CC2(C)C3CC(O)C4CC(O)CCC4(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 1.0
AlogP: 3.74 Num_rotatable_bonds: 5
MolWt: 466.7 Num_heavy_atoms: 33
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00587

CC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O