Glycoside
...
GD022375

Name:
None

Formula:
C59H93O17N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCCCCOC#Cc3ccc4c(c3)c(=O)c(C(=O)O)cn4CC)[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)[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)C1(C)O.CCn1cc(C(=O)O)c(=O)c2cc(C#COCCCCCC(=O)O)ccc21

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 4 FractionCSP3: 0.76
AlogP: 5.72 Num_rotatable_bonds: 17
MolWt: 1116.4 Num_heavy_atoms: 79
TPSA: 243.68 NumAromaticRings: 2

Unique Aglycone
AD00059
Formula: C31H60O9N2

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)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.97
AlogP: 1.63 Num_rotatable_bonds: 5
MolWt: 604.83 Num_heavy_atoms: 42
TPSA: 141.39 NumAromaticRings: 0
AD15174
Formula: C20H21O6N

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(C#COCCCCCC(=O)O)ccc21
HBA: 7 RingCount: 2
HBD: 2 FractionCSP3: 0.35
AlogP: 2.69 Num_rotatable_bonds: 8
MolWt: 371.39 Num_heavy_atoms: 27
TPSA: 105.83 NumAromaticRings: 2

Sugarmoiety
SD00005

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