Glycoside
...
GD116017

Name:
7-[(6-{[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3''-hydroxy-6-(hydroxymethyl)-3',3a,4'',6,9a,11a-hexamethyl-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:
C53H84O24

Smiles:
CC1OC(OC2C(OC3C(OCC4OC(OC5CCC6(C)C7=C(CCC6C5(C)CO)C5(C)CCC6(OC8(CC6C)OC(=O)C(C)C8O)C5(C)CC7)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1C(=O)OC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(O)C(C)(CO)C3CC5)O2)C1O

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

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 13 FractionCSP3: 0.94
AlogP: -2.54 Num_rotatable_bonds: 11
MolWt: 1105.23 Num_heavy_atoms: 77
TPSA: 372.36 NumAromaticRings: 0

Unique Aglycone
AD45999
Formula: C30H46O6

Smiles:
CC1C(=O)OC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(O)C(C)(CO)C3CC5)O2)C1O
HBA: 6 RingCount: 6
HBD: 3 FractionCSP3: 0.9
AlogP: 4.5 Num_rotatable_bonds: 1
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 96.22 NumAromaticRings: 0

Sugarmoiety
SD01538

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