Glycoside
...
GD006057

Name:
None

Formula:
C60H95O19N3

Smiles:
CC[C@H](C)[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](C(=O)O)[C@H](C)CC)CC[C@@]5(C)CC[C@]34C)C2(C)C)[C@H](O[C@@H]2O[C@H](C(=O)N[C@H](C(=O)O)[C@H](C)CC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(=O)O

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

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

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 11 FractionCSP3: 0.85
AlogP: 3.84 Num_rotatable_bonds: 19
MolWt: 1162.42 Num_heavy_atoms: 82
TPSA: 354.34 NumAromaticRings: 0

Unique Aglycone
AD05046
Formula: C36H57O5N

Smiles:
CCC(C)C(NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C(=O)O
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.86
AlogP: 6.94 Num_rotatable_bonds: 5
MolWt: 583.85 Num_heavy_atoms: 42
TPSA: 103.7 NumAromaticRings: 0
AD05047
Formula: C7H13O3N

Smiles:
CCC(C)C(NC=O)C(=O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.71
AlogP: 0.23 Num_rotatable_bonds: 5
MolWt: 159.18 Num_heavy_atoms: 11
TPSA: 66.4 NumAromaticRings: 0

Sugarmoiety
SD00502

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