Glycoside
...
GD006426

Name:
None

Formula:
C60H95O19N3

Smiles:
COC(=O)[C@@H](NC(=O)[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@@](C)(C(=O)N[C@H](C(=O)OC)C(C)C)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)N[C@@H](C(=O)OC)C(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(C)C

Aglycone:
COC(=O)C(NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C(C)C.COC(=O)C(NC=O)C(C)C.COC(=O)C(NC=O)C(C)C

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 8 FractionCSP3: 0.85
AlogP: 2.93 Num_rotatable_bonds: 16
MolWt: 1162.42 Num_heavy_atoms: 82
TPSA: 321.34 NumAromaticRings: 0

Unique Aglycone
AD05323
Formula: C36H57O5N

Smiles:
COC(=O)C(NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C(C)C
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.86
AlogP: 6.64 Num_rotatable_bonds: 4
MolWt: 583.85 Num_heavy_atoms: 42
TPSA: 92.7 NumAromaticRings: 0
AD05324
Formula: C7H13O3N

Smiles:
COC(=O)C(NC=O)C(C)C
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.71
AlogP: -0.07 Num_rotatable_bonds: 4
MolWt: 159.19 Num_heavy_atoms: 11
TPSA: 55.4 NumAromaticRings: 0

Sugarmoiety
SD00502

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O