Glycoside
...
GD021468

Name:
None

Formula:
C56H68O8N16Cl2

Smiles:
NC(N)=Nc1nc(-c2ccc(N3CCN(CCOCCOCCNC(=O)[C@@H](O)[C@@H](O)C(=O)NCCOCCOCCN4CCN(c5ccc(-c6nc(N=C(N)N)nc7ccc(Cl)cc67)cc5)CC4)CC3)cc2)c2cc(Cl)ccc2n1

Aglycone:
NCCOCCOCCN1CCN(c2ccc(-c3nc(N=C(N)N)nc4ccc(Cl)cc34)cc2)CC1.NCCOCCOCCN1CCN(c2ccc(-c3nc(N=C(N)N)nc4ccc(Cl)cc34)cc2)CC1

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 12 FractionCSP3: 0.41
AlogP: 1.99 Num_rotatable_bonds: 27
MolWt: 1140.15 Num_heavy_atoms: 80
TPSA: 328.9 NumAromaticRings: 6

Unique Aglycone
AD14680
Formula: C26H33O2N8Cl

Smiles:
NCCOCCOCCN1CCN(c2ccc(-c3nc(N=C(N)N)nc4ccc(Cl)cc34)cc2)CC1
HBA: 10 RingCount: 4
HBD: 6 FractionCSP3: 0.4
AlogP: 1.97 Num_rotatable_bonds: 11
MolWt: 513.05 Num_heavy_atoms: 36
TPSA: 141.14 NumAromaticRings: 3

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O