Glycoside
...
GD027955

Name:
None

Formula:
C58H69O21N

Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OCCCC(=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)CCCO)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

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

Other Identifiers

Properties
HBA: 22 RingCount: 8
HBD: 6 FractionCSP3: 0.53
AlogP: 2.54 Num_rotatable_bonds: 18
MolWt: 1116.18 Num_heavy_atoms: 80
TPSA: 315.74 NumAromaticRings: 3

Unique Aglycone
AD14154
Formula: C51H57O16N

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)CCCO)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
HBA: 17 RingCount: 7
HBD: 4 FractionCSP3: 0.47
AlogP: 4.06 Num_rotatable_bonds: 14
MolWt: 940.01 Num_heavy_atoms: 68
TPSA: 247.59 NumAromaticRings: 3

Sugarmoiety
SD00102

COC1OC(CO)C(O)C(O)C1O