Glycoside
...
GD014719

Name:
None

Formula:
C48H87O15N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCCCCC(=O)NC(C)C)[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:
CC(C)NC(=O)CCCCCNC(=O)O.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

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

Other Identifiers

Properties
HBA: 18 RingCount: 3
HBD: 5 FractionCSP3: 0.92
AlogP: 4.26 Num_rotatable_bonds: 16
MolWt: 946.23 Num_heavy_atoms: 66
TPSA: 230.11 NumAromaticRings: 0

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
AD10790
Formula: C10H20O3N2

Smiles:
CC(C)NC(=O)CCCCCNC(=O)O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.8
AlogP: 1.34 Num_rotatable_bonds: 7
MolWt: 216.28 Num_heavy_atoms: 15
TPSA: 78.43 NumAromaticRings: 0

Sugarmoiety
SD00005

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