Glycoside
...
GD021472

Name:
None

Formula:
C64H78O27N4

Smiles:
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](O)C[C@@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)N(C)CCN(C)C(=O)OCc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)c([N+](=O)[O-])c3)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C

Aglycone:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)N(C)CCN(C)C(=O)OCc3ccc(O)c([N+](=O)[O-])c3)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C

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

Other Identifiers

Properties
HBA: 31 RingCount: 8
HBD: 7 FractionCSP3: 0.55
AlogP: 3.35 Num_rotatable_bonds: 19
MolWt: 1335.33 Num_heavy_atoms: 95
TPSA: 428.96 NumAromaticRings: 3

Unique Aglycone
AD14682
Formula: C58H70O21N4

Smiles:
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)N(C)CCN(C)C(=O)OCc3ccc(O)c([N+](=O)[O-])c3)C(NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C
HBA: 25 RingCount: 7
HBD: 4 FractionCSP3: 0.52
AlogP: 5.79 Num_rotatable_bonds: 16
MolWt: 1159.2 Num_heavy_atoms: 83
TPSA: 332.74 NumAromaticRings: 3

Sugarmoiety
SD00030

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