Glycoside
...
GD117983

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

Formula:
C58H94O27

Smiles:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(OC4OC(COC6OCC(O)C(O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)C(O)C4O)C5(C)CO)C3(C)C2)O1

Aglycone:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(O)C5(C)CO)C3(C)C2)O1

Sugarmoiety:
CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 15 FractionCSP3: 0.95
AlogP: -3.62 Num_rotatable_bonds: 16
MolWt: 1223.36 Num_heavy_atoms: 85
TPSA: 422.05 NumAromaticRings: 0

Unique Aglycone
AD47111
Formula: C29H46O4

Smiles:
CCC(=O)C1CC(C)C2(CC3(C)CCC4=C(CCC5C4(C)CCC(O)C5(C)CO)C3(C)C2)O1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 5.6 Num_rotatable_bonds: 3
MolWt: 458.68 Num_heavy_atoms: 33
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD05166

CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O