Glycoside
...
GD012519

Name:
None

Formula:
C44H81O14N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CN(CC)CC)[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)N[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)NC(C)C(O)C1(C)O.CCN(CC)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 3
HBD: 4 FractionCSP3: 0.93
AlogP: 2.63 Num_rotatable_bonds: 13
MolWt: 876.14 Num_heavy_atoms: 61
TPSA: 204.25 NumAromaticRings: 0

Unique Aglycone
AD04586
Formula: C30H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)NC(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 0.81 Num_rotatable_bonds: 5
MolWt: 604.78 Num_heavy_atoms: 42
TPSA: 167.25 NumAromaticRings: 0
AD09429
Formula: C6H13O2N

Smiles:
CCN(CC)CC(=O)O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 0.41 Num_rotatable_bonds: 4
MolWt: 131.18 Num_heavy_atoms: 9
TPSA: 40.54 NumAromaticRings: 0

Sugarmoiety
SD00005

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