Glycoside
...
GD115370

Name:
methyl 8-hydroxy-1-(hydroxymethyl)-5,6,12,12,19-pentamethyl-23-oxo-24-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-15-ene-9-carboxylate

Formula:
C37H56O12

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC5OC(=O)C(CO)(C5OC5OC(CO)C(O)C(O)C5O)C4CCC3(C)C1(C)CC2O

Aglycone:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC5OC(=O)C(CO)(C5O)C4CCC3(C)C1(C)CC2O

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

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 6 FractionCSP3: 0.89
AlogP: 1.6 Num_rotatable_bonds: 5
MolWt: 692.84 Num_heavy_atoms: 49
TPSA: 192.44 NumAromaticRings: 0

Unique Aglycone
AD45626
Formula: C31H46O7

Smiles:
COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CC5OC(=O)C(CO)(C5O)C4CCC3(C)C1(C)CC2O
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.87
AlogP: 3.78 Num_rotatable_bonds: 2
MolWt: 530.7 Num_heavy_atoms: 38
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00003

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