Glycoside
...
GD023665

Name:
None

Formula:
C61H99O21N3

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@](C)(OC)[C@H]2OC(=O)CCOCCOCCCc2ccc3c(c2)c(=O)c(C(=O)O)cn3CC)[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)C(=NOCOCCOC)[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)C(=NOCOCCOC)C(C)C(O)C1(C)O.CCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC(=O)O)ccc21

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

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 5 FractionCSP3: 0.79
AlogP: 4.85 Num_rotatable_bonds: 26
MolWt: 1210.46 Num_heavy_atoms: 85
TPSA: 300.72 NumAromaticRings: 2

Unique Aglycone
AD00293
Formula: C33H62O12N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O
HBA: 14 RingCount: 2
HBD: 5 FractionCSP3: 0.94
AlogP: 1.28 Num_rotatable_bonds: 10
MolWt: 678.86 Num_heavy_atoms: 47
TPSA: 189.2 NumAromaticRings: 0
AD01650
Formula: C20H25O7N

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC(=O)O)ccc21
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 2.16 Num_rotatable_bonds: 12
MolWt: 391.42 Num_heavy_atoms: 28
TPSA: 115.06 NumAromaticRings: 2

Sugarmoiety
SD00422

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