Glycoside
...
GD022416

Name:
None

Formula:
C50H73O14N

Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O[C@@H]5O[C@H](CNC(=O)c6ccccc6C(=O)O)[C@H](O)[C@H](O)[C@H]5O)CC[C@]34C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.CNC(=O)c1ccccc1C(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 8 FractionCSP3: 0.78
AlogP: 4.48 Num_rotatable_bonds: 8
MolWt: 912.13 Num_heavy_atoms: 65
TPSA: 241.77 NumAromaticRings: 1

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD06389
Formula: C9H9O3N

Smiles:
CNC(=O)c1ccccc1C(=O)O
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.11
AlogP: 0.74 Num_rotatable_bonds: 2
MolWt: 179.17 Num_heavy_atoms: 13
TPSA: 66.4 NumAromaticRings: 1

Sugarmoiety
SD00638

CC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O