Glycoside
...
GD003084

Name:
None

Formula:
C50H57O18N

Smiles:
CC(=O)O[C@@]12CO[C@H]1C[C@H](OC(=O)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c4ccccc4)c4ccccc4)C[C@](O)([C@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C

Aglycone:
CC(=O)OC12COC1CCC1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C

Sugarmoiety:
O=C(OO)C(O)C(O)C(O)CO

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 8 FractionCSP3: 0.48
AlogP: 0.79 Num_rotatable_bonds: 14
MolWt: 960.0 Num_heavy_atoms: 69
TPSA: 302.21 NumAromaticRings: 3

Unique Aglycone
AD02842
Formula: C45H49O12N

Smiles:
CC(=O)OC12COC1CCC1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C12)C3(C)C
HBA: 13 RingCount: 7
HBD: 4 FractionCSP3: 0.44
AlogP: 4.19 Num_rotatable_bonds: 9
MolWt: 795.88 Num_heavy_atoms: 58
TPSA: 194.99 NumAromaticRings: 3

Sugarmoiety
SD00671

O=C(OO)C(O)C(O)C(O)CO