Glycoside
...
GD020351

Name:
None

Formula:
C40H69O16N

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](OC2C[C@@](C)(OC)[C@H](OC(=O)CC(=O)O)[C@H](C)O2)[C@H](C)[C@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)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)(O)CC(C)C(=O)C(C)C(O)C1(C)O.O=C(O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 5 FractionCSP3: 0.9
AlogP: 1.81 Num_rotatable_bonds: 10
MolWt: 819.98 Num_heavy_atoms: 57
TPSA: 237.28 NumAromaticRings: 0

Unique Aglycone
AD00112
Formula: C29H53O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 0.86 Num_rotatable_bonds: 4
MolWt: 575.74 Num_heavy_atoms: 40
TPSA: 166.22 NumAromaticRings: 0
AD13454
Formula: C3H4O4

Smiles:
O=C(O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.33
AlogP: -0.45 Num_rotatable_bonds: 2
MolWt: 104.06 Num_heavy_atoms: 7
TPSA: 74.6 NumAromaticRings: 0

Sugarmoiety
SD00005

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