Glycoside
...
GD033587

Name:
None

Formula:
C65H72O25N2

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)OCCN(C)C(=O)OCc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)cc3)[C@H](NC(=O)c3ccccc3)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)OCCN(C)C(=O)OCc3ccc(O)cc3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

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

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 7 FractionCSP3: 0.46
AlogP: 3.44 Num_rotatable_bonds: 19
MolWt: 1281.28 Num_heavy_atoms: 92
TPSA: 382.58 NumAromaticRings: 4

Unique Aglycone
AD21424
Formula: C59H64O19N2

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)OCCN(C)C(=O)OCc3ccc(O)cc3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
HBA: 21 RingCount: 8
HBD: 4 FractionCSP3: 0.42
AlogP: 5.87 Num_rotatable_bonds: 16
MolWt: 1105.16 Num_heavy_atoms: 80
TPSA: 286.36 NumAromaticRings: 4

Sugarmoiety
SD00030

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