Glycoside
...
GD025185

Name:
None

Formula:
C63H95O25N3

Smiles:
COC(=O)CC[C@H](NC(=O)[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3C(=O)C=C3[C@@H]5C[C@@](C)(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)CC[C@@]5(C)CC[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](C(=O)N[C@H](CCC(=O)OC)C(=O)OC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(=O)OC

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

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

Other Identifiers

Properties
HBA: 28 RingCount: 7
HBD: 8 FractionCSP3: 0.81
AlogP: 0.82 Num_rotatable_bonds: 22
MolWt: 1294.45 Num_heavy_atoms: 91
TPSA: 400.24 NumAromaticRings: 0

Unique Aglycone
AD16729
Formula: C37H57O7N

Smiles:
COC(=O)CCC(NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C(=O)OC
HBA: 8 RingCount: 5
HBD: 2 FractionCSP3: 0.84
AlogP: 5.94 Num_rotatable_bonds: 6
MolWt: 627.86 Num_heavy_atoms: 45
TPSA: 119.0 NumAromaticRings: 0
AD16730
Formula: C8H13O5N

Smiles:
COC(=O)CCC(NC=O)C(=O)OC
HBA: 6 RingCount: 0
HBD: 1 FractionCSP3: 0.62
AlogP: -0.77 Num_rotatable_bonds: 6
MolWt: 203.19 Num_heavy_atoms: 14
TPSA: 81.7 NumAromaticRings: 0

Sugarmoiety
SD00502

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