Glycoside
...
GD012245

Name:
None

Formula:
C26H38O11N2

Smiles:
CC(C(=O)NC(C)(C)C)N(C(=O)CC1OC(COc2ccccc2)C(O)C(O)C1O)C(CCC(=O)O)C(=O)O

Aglycone:
CC(=O)N(C(C)C(=O)NC(C)(C)C)C(CCC(=O)O)C(=O)O.COc1ccccc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 6 FractionCSP3: 0.62
AlogP: -0.24 Num_rotatable_bonds: 12
MolWt: 554.59 Num_heavy_atoms: 39
TPSA: 203.16 NumAromaticRings: 1

Unique Aglycone
AD00247
Formula: C7H8O

Smiles:
COc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 9.23 NumAromaticRings: 1
AD09247
Formula: C14H24O6N2

Smiles:
CC(=O)N(C(C)C(=O)NC(C)(C)C)C(CCC(=O)O)C(=O)O
HBA: 8 RingCount: 0
HBD: 3 FractionCSP3: 0.71
AlogP: 0.46 Num_rotatable_bonds: 7
MolWt: 316.35 Num_heavy_atoms: 22
TPSA: 124.01 NumAromaticRings: 0

Sugarmoiety
SD00017

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