Glycoside
...
GD025917

Name:
None

Formula:
C40H61O13N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)NCCc3ccccc3)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=NO)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NO)C(C)C2OC(=O)OC12C.O=C(O)NCCc1ccccc1

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 3 FractionCSP3: 0.72
AlogP: 4.11 Num_rotatable_bonds: 9
MolWt: 791.94 Num_heavy_atoms: 56
TPSA: 200.98 NumAromaticRings: 1

Unique Aglycone
AD09771
Formula: C23H37O9N

Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC)CC(C)C(=NO)C(C)C2OC(=O)OC12C
HBA: 10 RingCount: 2
HBD: 2 FractionCSP3: 0.83
AlogP: 2.72 Num_rotatable_bonds: 2
MolWt: 471.55 Num_heavy_atoms: 33
TPSA: 140.95 NumAromaticRings: 0
AD12040
Formula: C9H11O2N

Smiles:
O=C(O)NCCc1ccccc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.5 Num_rotatable_bonds: 3
MolWt: 165.19 Num_heavy_atoms: 12
TPSA: 49.33 NumAromaticRings: 1

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O