Glycoside
...
GD116842

Name:
(4-hydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-oloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxidanesulfonic acid

Formula:
C38H60O15S

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(OC6OCC(OS(=O)(=O)O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(C)C4CCC3(C)C1C2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C.O=S(=O)(O)O

Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 6 FractionCSP3: 0.95
AlogP: 1.83 Num_rotatable_bonds: 6
MolWt: 788.95 Num_heavy_atoms: 54
TPSA: 220.13 NumAromaticRings: 0

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD06417
Formula: C27H42O4

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C
HBA: 4 RingCount: 6
HBD: 2 FractionCSP3: 0.93
AlogP: 4.68 Num_rotatable_bonds: 0
MolWt: 430.63 Num_heavy_atoms: 31
TPSA: 58.92 NumAromaticRings: 0

Sugarmoiety
SD00143

CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O