Glycoside
...
GD154702

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

Formula:
C46H78O22

Smiles:
COC1C(O)C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:
COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 13 FractionCSP3: 1.0
AlogP: -3.52 Num_rotatable_bonds: 13
MolWt: 983.11 Num_heavy_atoms: 68
TPSA: 346.06 NumAromaticRings: 0

Unique Aglycone
AD10161
Formula: C21H36O3

Smiles:
CC(O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 1.0
AlogP: 3.5 Num_rotatable_bonds: 1
MolWt: 336.52 Num_heavy_atoms: 24
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD06659

COC1C(O)C(O)OC(C)C1OC1OC(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O