Glycoside
...
GD014077

Name:
None

Formula:
C57H93O16N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCN(C)CCNc3ccc4c(c3)c(=O)c(C(=O)O)cn4C3CC3)[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.CN(CCNc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1)CCC(=O)O

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 6 FractionCSP3: 0.79
AlogP: 4.23 Num_rotatable_bonds: 17
MolWt: 1104.39 Num_heavy_atoms: 78
TPSA: 260.72 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
AD10139
Formula: C19H23O5N3

Smiles:
CN(CCNc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1)CCC(=O)O
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.42
AlogP: 1.85 Num_rotatable_bonds: 9
MolWt: 373.41 Num_heavy_atoms: 27
TPSA: 111.87 NumAromaticRings: 2

Sugarmoiety
SD00005

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