Glycoside
...
GD029594

Name:
None

Formula:
C57H83O14N5

Smiles:
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)CCOC[C@@H]1O[C@H](OCCNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)C(C)C

Aglycone:
CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCO)C(C)C.COCCC(=O)NC(C(=O)NC(CC(C)C)C(=O)OC)C(C)C.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 5 FractionCSP3: 0.58
AlogP: 5.91 Num_rotatable_bonds: 30
MolWt: 1062.31 Num_heavy_atoms: 76
TPSA: 236.41 NumAromaticRings: 3

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD09105
Formula: C16H30O5N2

Smiles:
COCCC(=O)NC(C(=O)NC(CC(C)C)C(=O)OC)C(C)C
HBA: 7 RingCount: 0
HBD: 2 FractionCSP3: 0.81
AlogP: 0.87 Num_rotatable_bonds: 10
MolWt: 330.43 Num_heavy_atoms: 23
TPSA: 93.73 NumAromaticRings: 0
AD09876
Formula: C15H29O5N3

Smiles:
CC(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCCO)C(C)C
HBA: 8 RingCount: 0
HBD: 4 FractionCSP3: 0.8
AlogP: 0.15 Num_rotatable_bonds: 7
MolWt: 331.41 Num_heavy_atoms: 23
TPSA: 116.76 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O