Glycoside
...
GD022435

Name:
None

Formula:
C56H80O18N6

Smiles:
COC(=O)[C@H](Cc1c[nH]cn1)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](Cc3c[nH]cn3)C(=O)OC)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)C(Cc1c[nH]cn1)NC=O.COC(=O)C(Cc1c[nH]cn1)NC=O

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

Other Identifiers

Properties
HBA: 24 RingCount: 9
HBD: 10 FractionCSP3: 0.75
AlogP: 1.32 Num_rotatable_bonds: 15
MolWt: 1125.28 Num_heavy_atoms: 80
TPSA: 360.6 NumAromaticRings: 2

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
AD15211
Formula: C8H11O3N3

Smiles:
COC(=O)C(Cc1c[nH]cn1)NC=O
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.38
AlogP: -0.76 Num_rotatable_bonds: 5
MolWt: 197.19 Num_heavy_atoms: 14
TPSA: 84.08 NumAromaticRings: 1

Sugarmoiety
SD00502

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