Glycoside
...
GD025032

Name:
None

Formula:
C54H84O18N2

Smiles:
COC(=O)[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)O)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)OC)C(C)C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O)C(C)C

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.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: 20 RingCount: 7
HBD: 8 FractionCSP3: 0.85
AlogP: 2.7 Num_rotatable_bonds: 13
MolWt: 1049.26 Num_heavy_atoms: 74
TPSA: 303.24 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
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