Glycoside
...
GD018943

Name:
None

Formula:
C25H36O10N2

Smiles:
O=C(O)CC[C@H](NC(=O)CC1OC(CN2CCC(O)(Cc3ccccc3)CC2)C(O)C(O)C1O)C(=O)O

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.CN1CCC(O)(Cc2ccccc2)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 7 FractionCSP3: 0.64
AlogP: -1.27 Num_rotatable_bonds: 11
MolWt: 524.57 Num_heavy_atoms: 37
TPSA: 197.09 NumAromaticRings: 1

Unique Aglycone
AD01099
Formula: C7H11O5N

Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 103.7 NumAromaticRings: 0
AD13274
Formula: C13H19ON

Smiles:
CN1CCC(O)(Cc2ccccc2)CC1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.54
AlogP: 1.69 Num_rotatable_bonds: 2
MolWt: 205.3 Num_heavy_atoms: 15
TPSA: 23.47 NumAromaticRings: 1

Sugarmoiety
SD00017

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