Glycoside
...
GD146847

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-(hydroxymethyl)-3',3a,6,9a,11a-pentamethyl-5'-propanoyl-1,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-2,2'-oxolan]-3-one

Formula:
C52H82O23

Smiles:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(OC4OC(COC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C(O)C4O)C5(C)CO)C3(C)C2=O)O1

Aglycone:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(O)C5(C)CO)C3(C)C2=O)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: 23 RingCount: 9
HBD: 12 FractionCSP3: 0.92
AlogP: -2.26 Num_rotatable_bonds: 13
MolWt: 1075.21 Num_heavy_atoms: 75
TPSA: 359.97 NumAromaticRings: 0

Unique Aglycone
AD53380
Formula: C29H44O5

Smiles:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(O)C5(C)CO)C3(C)C2=O)O1
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 4.77 Num_rotatable_bonds: 3
MolWt: 472.67 Num_heavy_atoms: 34
TPSA: 83.83 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