Glycoside
...
GD020507

Name:
None

Formula:
C58H65O23N

Smiles:
CO[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1OC(=O)CCC(=O)O[C@H](C(=O)O[C@@H]1C[C@]2(O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@]4(OC(C)=O)CO[C@H]4C[C@@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@H](NC(=O)c1ccccc1)c1ccccc1

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)CCC(=O)O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

Sugarmoiety:
COC1OC(C(=O)O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 6 FractionCSP3: 0.5
AlogP: 2.16 Num_rotatable_bonds: 17
MolWt: 1144.14 Num_heavy_atoms: 82
TPSA: 349.88 NumAromaticRings: 3

Unique Aglycone
AD12659
Formula: C51H55O17N

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)CCC(=O)O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
HBA: 18 RingCount: 7
HBD: 4 FractionCSP3: 0.45
AlogP: 4.15 Num_rotatable_bonds: 14
MolWt: 953.99 Num_heavy_atoms: 69
TPSA: 264.66 NumAromaticRings: 3

Sugarmoiety
SD02337

COC1OC(C(=O)O)C(O)C(O)C1O