Glycoside
...
GD145694

Name:
2-{[2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3b,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-hydroperoxy-6-methylhept-4-en-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Formula:
C52H88O24

Smiles:
CC(C)(C=CCC(C)(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C1CCC2C1C(O)CC1C2(C)CCC2C(C)(C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC21C)OO

Aglycone:
CC(C)(C=CCC(C)(O)C1CCC2C1C(O)CC1C2(C)CCC2C(C)(C)C(O)CCC21C)OO

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 15 FractionCSP3: 0.96
AlogP: -2.49 Num_rotatable_bonds: 16
MolWt: 1097.25 Num_heavy_atoms: 76
TPSA: 386.52 NumAromaticRings: 0

Unique Aglycone
AD58459
Formula: C29H50O5

Smiles:
CC(C)(C=CCC(C)(O)C1CCC2C1C(O)CC1C2(C)CCC2C(C)(C)C(O)CCC21C)OO
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.58 Num_rotatable_bonds: 5
MolWt: 478.71 Num_heavy_atoms: 34
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD00272

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O