Glycoside
...
GD125121

Name:
7-[(6-{[(4,5-dihydroxy-3-{[5-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}oxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-2-hydroxy-6-(hydroxymethyl)-3',3a,6,9a,11a-pentamethyl-5'-propanoyl-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-3-one

Formula:
C57H90O28

Smiles:
CCC(=O)C1CC(C)C2(O1)C(O)C(=O)C1(C)C3=C(CCC12C)C1(C)CCC(OC2OC(COC4OCC(O)C(O)C4OC4OC(CO)C(O)C(OC5OCC(O)C(O)C5O)C4OC4OC(C)C(O)C(O)C4O)C(O)C(O)C2O)C(C)(CO)C1CC3

Aglycone:
CCC(=O)C1CC(C)C2(O1)C(O)C(=O)C1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3

Sugarmoiety:
CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 15 FractionCSP3: 0.93
AlogP: -4.83 Num_rotatable_bonds: 15
MolWt: 1223.32 Num_heavy_atoms: 85
TPSA: 439.12 NumAromaticRings: 0

Unique Aglycone
AD50597
Formula: C29H44O6

Smiles:
CCC(=O)C1CC(C)C2(O1)C(O)C(=O)C1(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(CO)C1CC3
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.86
AlogP: 3.75 Num_rotatable_bonds: 3
MolWt: 488.67 Num_heavy_atoms: 35
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD04861

CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O