Glycoside
...
GD034769

Name:
None

Formula:
C78H120O31N8

Smiles:
CC(C)C[C@@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2CCCCC2)OC(=O)[C@H]([C@H](C)OC(=O)CCCN(C)C(=O)OCc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c([N+](=O)[O-])c2)NC(=O)[C@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O

Aglycone:
CC(C)CC1OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(CC2CCCCC2)OC(=O)C(C(C)OC(=O)CCCN(C)C(=O)OCc2ccc(O)c([N+](=O)[O-])c2)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(CC(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC1=O

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

Other Identifiers

Properties
HBA: 39 RingCount: 4
HBD: 10 FractionCSP3: 0.73
AlogP: 2.94 Num_rotatable_bonds: 23
MolWt: 1665.84 Num_heavy_atoms: 117
TPSA: 547.83 NumAromaticRings: 1

Unique Aglycone
AD22066
Formula: C72H112O25N8

Smiles:
CC(C)CC1OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(CC2CCCCC2)OC(=O)C(C(C)OC(=O)CCCN(C)C(=O)OCc2ccc(O)c([N+](=O)[O-])c2)NC(=O)C(C)OC(=O)C(C(C)C)NC(=O)C(CC(C)C)OC(=O)C(C(C)C)NC(=O)C(C)OC(=O)C(C(C)C)NC1=O
HBA: 33 RingCount: 3
HBD: 7 FractionCSP3: 0.72
AlogP: 5.38 Num_rotatable_bonds: 20
MolWt: 1489.72 Num_heavy_atoms: 105
TPSA: 451.61 NumAromaticRings: 1

Sugarmoiety
SD00030

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