Glycoside
...
GD114501

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

Formula:
C52H86O21

Smiles:
CC(C)=CCCC(O)(COC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1CCC1C3(C=O)CCC(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C

Aglycone:
CC(C)=CCCC(O)(CO)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12C

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.94
AlogP: -0.72 Num_rotatable_bonds: 15
MolWt: 1047.24 Num_heavy_atoms: 73
TPSA: 333.67 NumAromaticRings: 0

Unique Aglycone
AD11861
Formula: C30H50O4

Smiles:
CC(C)=CCCC(O)(CO)C1CCC2(C)C1CCC1C3(C=O)CCC(O)C(C)(C)C3CCC12C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.9
AlogP: 5.68 Num_rotatable_bonds: 6
MolWt: 474.73 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD03104

CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O