Glycoside
...
GD025208

Name:
None

Formula:
C50H57O17N

Smiles:
CC(=O)O[C@@]12CO[C@H]1C[C@H](OC1OCC(O)C(O)C1O)[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)C21)C3(C)C

Aglycone:
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 7 FractionCSP3: 0.5
AlogP: 1.63 Num_rotatable_bonds: 11
MolWt: 944.0 Num_heavy_atoms: 68
TPSA: 274.14 NumAromaticRings: 3

Unique Aglycone
AD11467
Formula: C45H49O13N

Smiles:
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C
HBA: 14 RingCount: 7
HBD: 5 FractionCSP3: 0.44
AlogP: 3.16 Num_rotatable_bonds: 9
MolWt: 811.88 Num_heavy_atoms: 59
TPSA: 215.22 NumAromaticRings: 3

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O