Glycoside
...
GD012353

Name:
None

Formula:
C88H139O31N11

Smiles:
CC[C@H](C)[C@H]([C@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OC(Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN2C(=O)C=CC2=O)nn1)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1)C(C)C

Aglycone:
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OC(Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN2C(=O)C=CC2=O)nn1)c1ccc(O)c([N+](=O)[O-])c1)C(C)C

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

Other Identifiers

Properties
HBA: 42 RingCount: 6
HBD: 8 FractionCSP3: 0.72
AlogP: 2.9 Num_rotatable_bonds: 67
MolWt: 1847.13 Num_heavy_atoms: 130
TPSA: 516.13 NumAromaticRings: 3

Unique Aglycone
AD09330
Formula: C82H131O25N11

Smiles:
CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OC(Cc1cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN2C(=O)C=CC2=O)nn1)c1ccc(O)c([N+](=O)[O-])c1)C(C)C
HBA: 36 RingCount: 5
HBD: 5 FractionCSP3: 0.71
AlogP: 5.34 Num_rotatable_bonds: 64
MolWt: 1671.0 Num_heavy_atoms: 118
TPSA: 419.91 NumAromaticRings: 3

Sugarmoiety
SD00030

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