Glycoside
...
GD111716

Name:
None

Formula:
C33H33O15N3

Smiles:
CCOC(=O)c1ccc(NC(=O)O[C@H]2[C@H](OC(=O)Nc3ccc4c(c3)OCO4)[C@@H](OC(=O)Nc3ccc4c(c3)OCO4)[C@@H](OC)O[C@@H]2CO)cc1

Aglycone:
CCOC(=O)c1ccc(NC(=O)O)cc1.O=C(O)Nc1ccc2c(c1)OCO2.O=C(O)Nc1ccc2c(c1)OCO2

Sugarmoiety:
COC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 4 FractionCSP3: 0.33
AlogP: 3.84 Num_rotatable_bonds: 10
MolWt: 711.63 Num_heavy_atoms: 51
TPSA: 216.9 NumAromaticRings: 3

Unique Aglycone
AD44620
Formula: C10H11O4N

Smiles:
CCOC(=O)c1ccc(NC(=O)O)cc1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.2
AlogP: 1.95 Num_rotatable_bonds: 3
MolWt: 209.2 Num_heavy_atoms: 15
TPSA: 75.63 NumAromaticRings: 1
AD44621
Formula: C8H7O4N

Smiles:
O=C(O)Nc1ccc2c(c1)OCO2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.12
AlogP: 1.51 Num_rotatable_bonds: 1
MolWt: 181.15 Num_heavy_atoms: 13
TPSA: 67.79 NumAromaticRings: 1

Sugarmoiety
SD00102

COC1OC(CO)C(O)C(O)C1O