Glycoside
...
GD035543

Name:
None

Formula:
C75H104O24N14

Smiles:
CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@H]3CC[C@@H](NC(=O)OC(Cc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN5C(=O)C=CC5=O)nn4)c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5O)c([N+](=O)[O-])c4)CC3)nc12

Aglycone:
CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC3CCC(NC(=O)OC(Cc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN5C(=O)C=CC5=O)nn4)c4ccc(O)c([N+](=O)[O-])c4)CC3)nc12

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 9
HBD: 8 FractionCSP3: 0.59
AlogP: 3.89 Num_rotatable_bonds: 55
MolWt: 1585.73 Num_heavy_atoms: 113
TPSA: 467.44 NumAromaticRings: 6

Unique Aglycone
AD22483
Formula: C69H96O18N14

Smiles:
CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC3CCC(NC(=O)OC(Cc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN5C(=O)C=CC5=O)nn4)c4ccc(O)c([N+](=O)[O-])c4)CC3)nc12
HBA: 32 RingCount: 8
HBD: 5 FractionCSP3: 0.57
AlogP: 6.33 Num_rotatable_bonds: 52
MolWt: 1409.61 Num_heavy_atoms: 101
TPSA: 371.22 NumAromaticRings: 6

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O