Glycoside
...
GD018121

Name:
8,17,21-trihydroxy-6-(3-hydroxy-2-methylprop-1-en-1-yl)-2,8,10,13,18,18-hexamethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-12-one

Formula:
C36H56O12

Smiles:
CC(=C[C@@H]1C[C@@](C)(O)[C@@H]2[C@H](C[C@]3(C)[C@@H]4[C@H](O)C=C5[C@H](C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)C5(C)C)[C@@]4(C)C(=O)C[C@]23C)O1)CO

Aglycone:
CC(=CC1CC(C)(O)C2C(CC3(C)C4C(O)C=C5C(CC(O)C(O)C5(C)C)C4(C)C(=O)CC23C)O1)CO

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

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 8 FractionCSP3: 0.86
AlogP: 0.35 Num_rotatable_bonds: 5
MolWt: 680.83 Num_heavy_atoms: 48
TPSA: 206.6 NumAromaticRings: 0

Unique Aglycone
AD12840
Formula: C30H46O7

Smiles:
CC(=CC1CC(C)(O)C2C(CC3(C)C4C(O)C=C5C(CC(O)C(O)C5(C)C)C4(C)C(=O)CC23C)O1)CO
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.83
AlogP: 2.53 Num_rotatable_bonds: 2
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00003

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