Glycoside
...
GD029798

Name:
None

Formula:
C54H93O15N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[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(CCCNC(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)[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(CCCNC(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 7 FractionCSP3: 0.83
AlogP: 3.76 Num_rotatable_bonds: 14
MolWt: 1052.36 Num_heavy_atoms: 74
TPSA: 250.75 NumAromaticRings: 1

Unique Aglycone
AD19343
Formula: C46H79O12N5

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)C(C)C(O)C1(C)O
HBA: 17 RingCount: 4
HBD: 7 FractionCSP3: 0.8
AlogP: 2.84 Num_rotatable_bonds: 11
MolWt: 894.16 Num_heavy_atoms: 63
TPSA: 223.06 NumAromaticRings: 1

Sugarmoiety
SD00005

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