Glycoside
...
GD033327

Name:
None

Formula:
C77H103O35N7

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](NC(=O)OC(Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)c2ccc(O[C@@H]3O[C@H](CC(=O)O)[C@H](O)[C@H](O)[C@H]3O)c([N+](=O)[O-])c2)[C@H](O)[C@H](C)O1

Aglycone:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OC(Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)c2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1

Sugarmoiety:
O=C(O)CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 42 RingCount: 9
HBD: 11 FractionCSP3: 0.61
AlogP: -0.32 Num_rotatable_bonds: 54
MolWt: 1686.68 Num_heavy_atoms: 119
TPSA: 567.46 NumAromaticRings: 4

Unique Aglycone
AD21284
Formula: C70H93O29N7

Smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(NC(=O)OC(Cc2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN3C(=O)C=CC3=O)nn2)c2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1
HBA: 36 RingCount: 8
HBD: 8 FractionCSP3: 0.59
AlogP: 1.73 Num_rotatable_bonds: 50
MolWt: 1496.53 Num_heavy_atoms: 106
TPSA: 471.24 NumAromaticRings: 4

Sugarmoiety
SD01345

O=C(O)CC1OC(O)C(O)C(O)C1O