Glycoside
...
GD001309

Name:
None

Formula:
C44H54O12N6

Smiles:
CC(=O)N[C@@H]1[C@H](OC(C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)OCCCCNC(=O)c2cccc3cc4ccccc4nc23)C(N)=O)C(O)C(CO)O[C@H]1OCc1ccccc1

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCCNC(=O)c1cccc2cc3ccccc3nc12)C(N)=O.OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 8 FractionCSP3: 0.43
AlogP: 1.27 Num_rotatable_bonds: 21
MolWt: 858.95 Num_heavy_atoms: 62
TPSA: 266.83 NumAromaticRings: 4

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
AD01344
Formula: C29H35O7N5

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCCNC(=O)c1cccc2cc3ccccc3nc12)C(N)=O
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.38
AlogP: 1.08 Num_rotatable_bonds: 14
MolWt: 565.63 Num_heavy_atoms: 41
TPSA: 189.81 NumAromaticRings: 3

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O