Glycoside
...
GD008858

Name:
None

Formula:
C56H87O14N4Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCc3ccccc3Cl)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](OC(=O)NCc2ccccc2)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccccc2)C1(C)O.O=C(O)NCCc1ccccc1Cl

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 5 FractionCSP3: 0.73
AlogP: 6.46 Num_rotatable_bonds: 14
MolWt: 1063.77 Num_heavy_atoms: 74
TPSA: 216.28 NumAromaticRings: 2

Unique Aglycone
AD00824
Formula: C10H10O2NCl

Smiles:
O=C(O)NCCc1ccccc1Cl
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 2.15 Num_rotatable_bonds: 3
MolWt: 199.64 Num_heavy_atoms: 13
TPSA: 49.33 NumAromaticRings: 1
AD01240
Formula: C38H65O10N3

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccccc2)C1(C)O
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.79
AlogP: 2.91 Num_rotatable_bonds: 7
MolWt: 723.95 Num_heavy_atoms: 51
TPSA: 170.49 NumAromaticRings: 1

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O