Glycoside
...
GD014482

Name:
None

Formula:
C59H95O19N3

Smiles:
CCON=C1[C@H](C)[C@H](O)[C@@](C)(O)[C@H](CC)OC(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@](C)(OC)[C@H]2OC(=O)CCOCCOCCCc2ccc3c(c2)c(=O)c(C(=O)O)cn3CC)[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]1C

Aglycone:
CCON=C1C(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C.CCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC(=O)O)ccc21

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 5 FractionCSP3: 0.78
AlogP: 5.25 Num_rotatable_bonds: 22
MolWt: 1150.41 Num_heavy_atoms: 81
TPSA: 282.26 NumAromaticRings: 2

Unique Aglycone
AD01650
Formula: C20H25O7N

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC(=O)O)ccc21
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 2.16 Num_rotatable_bonds: 12
MolWt: 391.42 Num_heavy_atoms: 28
TPSA: 115.06 NumAromaticRings: 2
AD10641
Formula: C31H58O10N2

Smiles:
CCON=C1C(C)CC(C)(O)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C1C
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.94
AlogP: 1.68 Num_rotatable_bonds: 6
MolWt: 618.81 Num_heavy_atoms: 43
TPSA: 170.74 NumAromaticRings: 0

Sugarmoiety
SD00422

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