Glycoside
...
GD134528

Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3b,6,6,11a-tetramethyl-1-{6-methyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]hept-5-en-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde

Formula:
C54H90O22

Smiles:
CC(C)=CCCC(C)(OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2C1(C)CCC1C2(C)CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC21C=O

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2C1(C)CCC1C2(C)CCC2C(C)(C)C(O)CCC21C=O

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: 13 FractionCSP3: 0.94
AlogP: -0.97 Num_rotatable_bonds: 16
MolWt: 1091.29 Num_heavy_atoms: 76
TPSA: 353.9 NumAromaticRings: 0

Unique Aglycone
AD53449
Formula: C30H50O3

Smiles:
CC(C)=CCCC(C)(O)C1CCC2C1(C)CCC1C2(C)CCC2C(C)(C)C(O)CCC21C=O
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.9
AlogP: 6.71 Num_rotatable_bonds: 5
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 57.53 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