Glycoside
...
GD125584

Name:
14,20-dibromo-19-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(23),2(10),3,8,11,13,15,17(22),20-nonaene-5,7-dione

Formula:
C27H21O7N3Br2

Smiles:
COC1C(CO)OC(C2CC3=C(C=C2Br)N=c2c4c(c5c(c23)C(Br)=NC=5)C2=CC(=O)CC(=O)C2=N4)C(O)C1O

Aglycone:
O=C1C=C2C(=Nc3c2c2c(c4c3=NC3=C4CCC(Br)=C3)C(Br)=NC=2)C(=O)C1

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

Other Identifiers

Properties
HBA: 10 RingCount: 7
HBD: 3 FractionCSP3: 0.37
AlogP: 0.73 Num_rotatable_bonds: 3
MolWt: 659.29 Num_heavy_atoms: 39
TPSA: 150.37 NumAromaticRings: 1

Unique Aglycone
AD50792
Formula: C20H9O2N3Br2

Smiles:
O=C1C=C2C(=Nc3c2c2c(c4c3=NC3=C4CCC(Br)=C3)C(Br)=NC=2)C(=O)C1
HBA: 5 RingCount: 6
HBD: 0 FractionCSP3: 0.15
AlogP: 3.01 Num_rotatable_bonds: 0
MolWt: 483.12 Num_heavy_atoms: 27
TPSA: 71.22 NumAromaticRings: 1

Sugarmoiety
SD00246

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