Glycoside
...
GD022856

Name:
COUMABIOCIN A

Formula:
C31H36O12N2

Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc5c(c4)CC(C(C)(C)O)O5)c(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(C(C)(C)O)O4)c(=O)oc12

Sugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 6 FractionCSP3: 0.45
AlogP: 2.49 Num_rotatable_bonds: 7
MolWt: 628.63 Num_heavy_atoms: 45
TPSA: 209.24 NumAromaticRings: 3

Unique Aglycone
AD15442
Formula: C22H21O7N

Smiles:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccc4c(c3)CC(C(C)(C)O)O4)c(=O)oc12
HBA: 8 RingCount: 4
HBD: 4 FractionCSP3: 0.27
AlogP: 2.84 Num_rotatable_bonds: 3
MolWt: 411.41 Num_heavy_atoms: 30
TPSA: 129.23 NumAromaticRings: 3

Sugarmoiety
SD00588

COC1C(OC(N)=O)C(O)C(O)OC1(C)C