Glycoside
...
GD031216

Name:
None

Formula:
C48H77O15N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CC(=O)NO)nn4)cc3)[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)Cc3ccc(-c4cn(CC(=O)NO)nn4)cc3)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 6 FractionCSP3: 0.77
AlogP: 2.77 Num_rotatable_bonds: 13
MolWt: 964.16 Num_heavy_atoms: 68
TPSA: 262.95 NumAromaticRings: 2

Unique Aglycone
AD20123
Formula: C40H63O12N5

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CC(=O)NO)nn4)cc3)C2O)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 17 RingCount: 4
HBD: 6 FractionCSP3: 0.72
AlogP: 1.85 Num_rotatable_bonds: 10
MolWt: 805.97 Num_heavy_atoms: 57
TPSA: 235.26 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O