Glycoside
...
GD146791

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

Formula:
C53H90O21

Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CC(O)C12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C

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

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 13 FractionCSP3: 0.96
AlogP: -0.54 Num_rotatable_bonds: 15
MolWt: 1063.28 Num_heavy_atoms: 74
TPSA: 336.83 NumAromaticRings: 0

Unique Aglycone
AD54257
Formula: C30H52O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: 6.5 Num_rotatable_bonds: 4
MolWt: 460.74 Num_heavy_atoms: 33
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD08459

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