Glycoside
...
GD136192

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

Formula:
C55H94O22

Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(C)CC1C3(C)C(O)CC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(C)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 14 FractionCSP3: 0.96
AlogP: -0.93 Num_rotatable_bonds: 15
MolWt: 1107.34 Num_heavy_atoms: 77
TPSA: 357.06 NumAromaticRings: 0

Unique Aglycone
AD55048
Formula: C31H54O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(C)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.94
AlogP: 6.75 Num_rotatable_bonds: 4
MolWt: 474.77 Num_heavy_atoms: 34
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD01743

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O