Glycoside
...
GD028793

Name:
None

Formula:
C53H88O15N6

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@](O)(CN(C)Cc3ccc(-c4cn(CCCC(=O)NO)nn4)cc3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O.CN(C)Cc1ccc(-c2cn(CCCC(=O)NO)nn2)cc1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1(O)O

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 6 FractionCSP3: 0.79
AlogP: 3.49 Num_rotatable_bonds: 17
MolWt: 1049.31 Num_heavy_atoms: 74
TPSA: 266.19 NumAromaticRings: 2

Unique Aglycone
AD00774
Formula: C30H55O10N

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0
AD18773
Formula: C15H21O2N5

Smiles:
CN(C)Cc1ccc(-c2cn(CCCC(=O)NO)nn2)cc1
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.4
AlogP: 1.29 Num_rotatable_bonds: 7
MolWt: 303.37 Num_heavy_atoms: 22
TPSA: 83.28 NumAromaticRings: 2

Sugarmoiety
SD00237

COC1(C)CC(O)OC(C)C1(O)O