Glycoside
...
GD158274

Name:
7-({6-[({3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-6,6-bis(hydroxymethyl)-3',3a,4'',9a,11a-pentamethyl-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrodispiro[cyclopenta[a]phenanthrene-1,2':5',2''-bis(oxolane)]-5''-one

Formula:
C52H82O24

Smiles:
CC1CC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(OC4OC(COC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)(CO)C6O)C(O)C(O)C4O)C(CO)(CO)C3CC5)O2)OC1=O

Aglycone:
CC1CC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(O)C(CO)(CO)C3CC5)O2)OC1=O

Sugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 13 FractionCSP3: 0.94
AlogP: -2.92 Num_rotatable_bonds: 13
MolWt: 1091.2 Num_heavy_atoms: 76
TPSA: 372.36 NumAromaticRings: 0

Unique Aglycone
AD59302
Formula: C30H46O6

Smiles:
CC1CC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(O)C(CO)(CO)C3CC5)O2)OC1=O
HBA: 6 RingCount: 6
HBD: 3 FractionCSP3: 0.9
AlogP: 4.5 Num_rotatable_bonds: 2
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD01853

OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OCC(O)C2O)C(OC2OCC(O)(CO)C2O)C(O)C1O