Glycoside
...
GD137197

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

Formula:
C36H62O11

Smiles:
C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C)OO

Aglycone:
C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OO

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

Other Identifiers

Properties
HBA: 11 RingCount: 5
HBD: 8 FractionCSP3: 0.94
AlogP: 2.76 Num_rotatable_bonds: 9
MolWt: 670.88 Num_heavy_atoms: 47
TPSA: 189.53 NumAromaticRings: 0

Unique Aglycone
AD04409
Formula: C30H52O6

Smiles:
C=C(C)C(CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OO
HBA: 6 RingCount: 4
HBD: 5 FractionCSP3: 0.93
AlogP: 4.94 Num_rotatable_bonds: 6
MolWt: 508.74 Num_heavy_atoms: 36
TPSA: 110.38 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O