Glycoside
...
GD026425

Name:
None

Formula:
C49H79O17N

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2C[C@@](C)(OC)[C@H](OC(=O)CC(=O)OCc3ccc(OC)cc3)[C@H](C)O2)[C@H](C)[C@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.COc1ccc(COC(=O)CC(=O)O)cc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 3 FractionCSP3: 0.8
AlogP: 4.13 Num_rotatable_bonds: 14
MolWt: 954.16 Num_heavy_atoms: 67
TPSA: 224.51 NumAromaticRings: 1

Unique Aglycone
AD00774
Formula: C30H55O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0
AD17422
Formula: C11H12O5

Smiles:
COc1ccc(COC(=O)CC(=O)O)cc1
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.27
AlogP: 1.21 Num_rotatable_bonds: 5
MolWt: 224.21 Num_heavy_atoms: 16
TPSA: 72.83 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O