Glycoside
...
GD036810

Name:
None

Formula:
C36H57O11N

Smiles:
C=CC(C)(C)OC[C@@H]1O[C@H](O[C@@H]2C3=C([C@H](C)CNC(=O)[C@@H]4CO4)C[C@H](O)[C@@]3(C)C=C3[C@H](COC)CC[C@@]3(C)[C@H](C)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
C=CC(C)(C)OC.COCC1CCC2(C)C1=CC1(C)C(=C(C(C)CNC(=O)C3CO3)CC1O)C(O)C(O)C2C

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.81
AlogP: 1.38 Num_rotatable_bonds: 12
MolWt: 679.85 Num_heavy_atoms: 48
TPSA: 179.7 NumAromaticRings: 0

Unique Aglycone
AD23211
Formula: C6H12O

Smiles:
C=CC(C)(C)OC
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 1.6 Num_rotatable_bonds: 2
MolWt: 100.16 Num_heavy_atoms: 7
TPSA: 9.23 NumAromaticRings: 0
AD23212
Formula: C25H39O6N

Smiles:
COCC1CCC2(C)C1=CC1(C)C(=C(C(C)CNC(=O)C3CO3)CC1O)C(O)C(O)C2C
HBA: 7 RingCount: 4
HBD: 4 FractionCSP3: 0.8
AlogP: 1.57 Num_rotatable_bonds: 6
MolWt: 449.59 Num_heavy_atoms: 32
TPSA: 111.55 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O