Glycoside
...
GD022125

Name:
None

Formula:
C29H24O8N3Br

Smiles:
COC1C(CO)OC(n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C(O)C1OC(=O)CBr

Aglycone:
O=C(O)CBr.O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21

Sugarmoiety:
COC1C(CO)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 4 FractionCSP3: 0.28
AlogP: 2.88 Num_rotatable_bonds: 5
MolWt: 622.43 Num_heavy_atoms: 41
TPSA: 152.11 NumAromaticRings: 5

Unique Aglycone
AD04076
Formula: C20H11O2N3

Smiles:
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
HBA: 5 RingCount: 6
HBD: 3 FractionCSP3: 0.0
AlogP: 3.84 Num_rotatable_bonds: 0
MolWt: 325.33 Num_heavy_atoms: 25
TPSA: 77.75 NumAromaticRings: 5
AD14738
Formula: C2H3O2Br

Smiles:
O=C(O)CBr
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: 0.47 Num_rotatable_bonds: 1
MolWt: 138.95 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00246

COC1C(CO)OC(O)C(O)C1O