Glycoside
...
GD005465

Name:
None

Formula:
C57H68O16N2Cl4

Smiles:
C[C@H]1CC[C@@]2(OC1)OC1CC3C4CC[C@@H]5C[C@H](O[C@@H]6O[C@H](COC(=O)Nc7c(Cl)cccc7Cl)[C@H](O[C@@H]7O[C@H](COC(=O)Nc8c(Cl)cccc8Cl)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@@]5(C)C4C(=O)C[C@@]3(C)C1[C@H]2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C.COC(=O)Nc1c(Cl)cccc1Cl.COC(=O)Nc1c(Cl)cccc1Cl

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

Other Identifiers

Properties
HBA: 18 RingCount: 10
HBD: 7 FractionCSP3: 0.72
AlogP: 7.75 Num_rotatable_bonds: 10
MolWt: 1130.94 Num_heavy_atoms: 75
TPSA: 250.26 NumAromaticRings: 2

Unique Aglycone
AD01997
Formula: C27H42O4

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4C(=O)CC3(C)C1C2C
HBA: 4 RingCount: 6
HBD: 1 FractionCSP3: 0.96
AlogP: 4.97 Num_rotatable_bonds: 0
MolWt: 430.63 Num_heavy_atoms: 31
TPSA: 55.76 NumAromaticRings: 0
AD04644
Formula: C10H7O2NCl2

Smiles:
COC(=O)Nc1c(Cl)cccc1Cl
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 3.17 Num_rotatable_bonds: 1
MolWt: 220.06 Num_heavy_atoms: 13
TPSA: 38.33 NumAromaticRings: 1

Sugarmoiety
SD00502

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