Glycoside
...
GD149539

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

Formula:
C49H84O18

Smiles:
CC1OC(OC2C(OC3CC4(C)C(CC(O)C5C(C(C)(CC=CC(C)(C)O)OC6OC(CO)C(O)C(O)C6O)CCC54C)C4(C)CCC(O)C(C)(C)C34)CC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3CC(CO)C(O)C(O)C3O)CC12C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 13 FractionCSP3: 0.96
AlogP: -0.39 Num_rotatable_bonds: 12
MolWt: 961.19 Num_heavy_atoms: 67
TPSA: 309.14 NumAromaticRings: 0

Unique Aglycone
AD59786
Formula: C37H64O9

Smiles:
CC(C)(O)C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3CC(CO)C(O)C(O)C3O)CC12C
HBA: 9 RingCount: 5
HBD: 8 FractionCSP3: 0.95
AlogP: 2.93 Num_rotatable_bonds: 7
MolWt: 652.91 Num_heavy_atoms: 46
TPSA: 171.07 NumAromaticRings: 0

Sugarmoiety
SD00170

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O