Glycoside
...
GD150735

Name:
7-({4-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-6,6,9a,11a-tetramethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-3a-carboxylic acid

Formula:
C52H84O21

Smiles:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OCC(O)C(OC4OCC(O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C2OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC3

Aglycone:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3

Sugarmoiety:
OCC1OC(OC2C(O)COC(OC3C(O)COC(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 12 FractionCSP3: 0.9
AlogP: 0.12 Num_rotatable_bonds: 15
MolWt: 1045.22 Num_heavy_atoms: 73
TPSA: 333.67 NumAromaticRings: 0

Unique Aglycone
AD15778
Formula: C30H48O3

Smiles:
CC(C)=CCCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.83
AlogP: 7.54 Num_rotatable_bonds: 5
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD09829

OCC1OC(OC2C(O)COC(OC3C(O)COC(O)C3OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O