Glycoside
...
GD125637

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

Formula:
C54H92O22

Smiles:
CC(C)=CCCC(C)(CC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC12C

Aglycone:
CC(C)=CCCC(C)(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 15 FractionCSP3: 0.96
AlogP: -1.93 Num_rotatable_bonds: 15
MolWt: 1093.31 Num_heavy_atoms: 76
TPSA: 368.06 NumAromaticRings: 0

Unique Aglycone
AD50816
Formula: C31H54O3

Smiles:
CC(C)=CCCC(C)(C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
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
SD00272

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O