Glycoside
...
GD019940

Name:
None

Formula:
C56H91O17N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OCCCOCCCc3cc4c5c(c3)c(=O)c(C(=O)O)cn5COC4)[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)c1cn2c3c(cc(CCCOCCCO)cc3c1=O)COC2

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 5 FractionCSP3: 0.8
AlogP: 4.47 Num_rotatable_bonds: 17
MolWt: 1078.35 Num_heavy_atoms: 76
TPSA: 246.84 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
AD13842
Formula: C18H21O6N

Smiles:
O=C(O)c1cn2c3c(cc(CCCOCCCO)cc3c1=O)COC2
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 1.52 Num_rotatable_bonds: 8
MolWt: 347.37 Num_heavy_atoms: 25
TPSA: 97.99 NumAromaticRings: 2

Sugarmoiety
SD00005

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