Glycoside
...
GD036027

Name:
None

Formula:
C51H72O12NCl

Smiles:
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H](O)[C@H]6NC(=O)C=Cc6ccc(Cl)cc6)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.NC(=O)C=Cc1ccc(Cl)cc1

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 7 FractionCSP3: 0.76
AlogP: 6.01 Num_rotatable_bonds: 9
MolWt: 914.57 Num_heavy_atoms: 64
TPSA: 204.47 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
AD22760
Formula: C10H8ONCl

Smiles:
NC(=O)C=Cc1ccc(Cl)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.84 Num_rotatable_bonds: 2
MolWt: 181.62 Num_heavy_atoms: 12
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00063

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O