Glycoside
...
GD015121

Name:
None

Formula:
C59H95O17N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCNC(=O)c3ccc(OC)c(OC)c3)[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(=O)NCCc2ccccc2)[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(=O)NCCc2ccccc2)C1(C)O.COc1ccc(C(=O)NCCNC(=O)O)cc1OC

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 6 FractionCSP3: 0.73
AlogP: 5.06 Num_rotatable_bonds: 18
MolWt: 1146.43 Num_heavy_atoms: 81
TPSA: 263.84 NumAromaticRings: 2

Unique Aglycone
AD01027
Formula: C12H16O5N2

Smiles:
COc1ccc(C(=O)NCCNC(=O)O)cc1OC
HBA: 7 RingCount: 1
HBD: 3 FractionCSP3: 0.33
AlogP: 0.7 Num_rotatable_bonds: 6
MolWt: 268.27 Num_heavy_atoms: 19
TPSA: 96.89 NumAromaticRings: 1
AD01233
Formula: C39H67O10N3

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(=O)NCCc2ccccc2)C1(C)O
HBA: 13 RingCount: 3
HBD: 5 FractionCSP3: 0.79
AlogP: 2.95 Num_rotatable_bonds: 8
MolWt: 737.98 Num_heavy_atoms: 52
TPSA: 170.49 NumAromaticRings: 1

Sugarmoiety
SD00005

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