Glycoside
...
GD019290

Name:
None

Formula:
C53H86O14N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCNCCNc3cccc4ccccc34)[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)(OC)C[C@H](C)NC(=O)[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)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O.O=C(O)CCNCCNc1cccc2ccccc12

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

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 6 FractionCSP3: 0.75
AlogP: 4.54 Num_rotatable_bonds: 16
MolWt: 1003.29 Num_heavy_atoms: 71
TPSA: 225.07 NumAromaticRings: 2

Unique Aglycone
AD00310
Formula: C30H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 0.81 Num_rotatable_bonds: 5
MolWt: 604.78 Num_heavy_atoms: 42
TPSA: 167.25 NumAromaticRings: 0
AD13488
Formula: C15H18O2N2

Smiles:
O=C(O)CCNCCNc1cccc2ccccc12
HBA: 4 RingCount: 2
HBD: 3 FractionCSP3: 0.27
AlogP: 2.32 Num_rotatable_bonds: 7
MolWt: 258.32 Num_heavy_atoms: 19
TPSA: 61.36 NumAromaticRings: 2

Sugarmoiety
SD00005

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