Glycoside
...
GD031115

Name:
None

Formula:
C53H78O22N2

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

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)CC(NC=O)C(=O)O.COC(=O)CC(NC=O)C(=O)OC

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

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 9 FractionCSP3: 0.81
AlogP: 0.43 Num_rotatable_bonds: 15
MolWt: 1095.2 Num_heavy_atoms: 77
TPSA: 366.84 NumAromaticRings: 0

Unique Aglycone
AD02343
Formula: C30H46O4

Smiles:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 6.41 Num_rotatable_bonds: 1
MolWt: 470.69 Num_heavy_atoms: 34
TPSA: 74.6 NumAromaticRings: 0
AD09216
Formula: C6H9O5N

Smiles:
COC(=O)CC(NC=O)C(=O)O
HBA: 6 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -1.25 Num_rotatable_bonds: 5
MolWt: 175.14 Num_heavy_atoms: 12
TPSA: 92.7 NumAromaticRings: 0
AD18692
Formula: C7H11O5N

Smiles:
COC(=O)CC(NC=O)C(=O)OC
HBA: 6 RingCount: 0
HBD: 1 FractionCSP3: 0.57
AlogP: -1.16 Num_rotatable_bonds: 5
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 81.7 NumAromaticRings: 0

Sugarmoiety
SD00502

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