Glycoside
...
GD023290

Name:
None

Formula:
C49H82O16N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN3CCN(C(=O)c4ccco4)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)(O)C[C@H](C)NC(=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)(O)CC(C)NC(=O)C(C)C(O)C1(C)O.O=C(O)CCN1CCN(C(=O)c2ccco2)CC1

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 5 FractionCSP3: 0.84
AlogP: 2.08 Num_rotatable_bonds: 12
MolWt: 983.21 Num_heavy_atoms: 69
TPSA: 248.7 NumAromaticRings: 1

Unique Aglycone
AD00177
Formula: C29H54O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.93
AlogP: 0.16 Num_rotatable_bonds: 4
MolWt: 590.76 Num_heavy_atoms: 41
TPSA: 178.25 NumAromaticRings: 0
AD03760
Formula: C12H16O4N2

Smiles:
O=C(O)CCN1CCN(C(=O)c2ccco2)CC1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.51 Num_rotatable_bonds: 4
MolWt: 252.27 Num_heavy_atoms: 18
TPSA: 73.99 NumAromaticRings: 1

Sugarmoiety
SD00005

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