Glycoside
...
GD126530

Name:
7-[(6-{[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-6,6-bis(hydroxymethyl)-3',3a,9a,11a-tetramethyl-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:
C52H82O24

Smiles:
CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC32C)C2(C)CCC(OC3OC(COC5OCC(O)C(O)C5OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C(O)C(O)C3O)C(CO)(CO)C2CC4)O1

Aglycone:
CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC32C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1

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

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 13 FractionCSP3: 0.92
AlogP: -3.29 Num_rotatable_bonds: 14
MolWt: 1091.2 Num_heavy_atoms: 76
TPSA: 380.2 NumAromaticRings: 0

Unique Aglycone
AD51207
Formula: C29H44O6

Smiles:
CCC(=O)C1CC(C)C2(CC(=O)C3(C)C4=C(CCC32C)C2(C)CCC(O)C(CO)(CO)C2CC4)O1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.86
AlogP: 3.75 Num_rotatable_bonds: 4
MolWt: 488.67 Num_heavy_atoms: 35
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD01538

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