Glycoside
...
GD124563

Name:
8-{[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]methyl}-3-(1-hydroxypropan-2-yl)-5a,5b,8,11a-tetramethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-13b-carboxylic acid

Formula:
C53H88O24

Smiles:
CC(CO)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C(=O)O)C1CCC1(C)C2CCC2C3(C)CCCC(C)(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C4O)C3CCC21C

Aglycone:
CC(CO)C1C(O)CC2(C(=O)O)C1CCC1(C)C2CCC2C3(C)CCCC(C)(CO)C3CCC21C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 15 FractionCSP3: 0.98
AlogP: -2.95 Num_rotatable_bonds: 16
MolWt: 1109.26 Num_heavy_atoms: 77
TPSA: 394.36 NumAromaticRings: 0

Unique Aglycone
AD50331
Formula: C30H50O5

Smiles:
CC(CO)C1C(O)CC2(C(=O)O)C1CCC1(C)C2CCC2C3(C)CCCC(C)(CO)C3CCC21C
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.97
AlogP: 5.11 Num_rotatable_bonds: 4
MolWt: 490.73 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD06338

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O