Glycoside
...
GD029305

Name:
None

Formula:
C59H95O16N6Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCNCCNc3cc4c(=O)c(C(=O)NCCO)cn(C5CC5)c4cc3Cl)[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](O)[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(O)C1(C)O.O=C(O)CCNCCNc1cc2c(=O)c(C(=O)NCCO)cn(C3CC3)c2cc1Cl

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

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 8 FractionCSP3: 0.79
AlogP: 3.57 Num_rotatable_bonds: 19
MolWt: 1167.88 Num_heavy_atoms: 81
TPSA: 281.54 NumAromaticRings: 2

Unique Aglycone
AD00728
Formula: C30H58O9N2

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(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD19074
Formula: C21H25O5N4Cl

Smiles:
O=C(O)CCNCCNc1cc2c(=O)c(C(=O)NCCO)cn(C3CC3)c2cc1Cl
HBA: 9 RingCount: 3
HBD: 5 FractionCSP3: 0.45
AlogP: 1.19 Num_rotatable_bonds: 11
MolWt: 436.9 Num_heavy_atoms: 30
TPSA: 132.69 NumAromaticRings: 2

Sugarmoiety
SD00005

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