Glycoside
...
GD032224

Name:
None

Formula:
C51H85O14N5

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)Nc2c(C)noc2-c2ccccc2)[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)Nc2c(C)noc2-c2ccccc2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 7 FractionCSP3: 0.78
AlogP: 4.45 Num_rotatable_bonds: 13
MolWt: 992.26 Num_heavy_atoms: 70
TPSA: 247.24 NumAromaticRings: 2

Unique Aglycone
AD20690
Formula: C43H71O11N5

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)Nc2c(C)noc2-c2ccccc2)C(C)C(O)C1(C)O
HBA: 16 RingCount: 4
HBD: 7 FractionCSP3: 0.74
AlogP: 3.52 Num_rotatable_bonds: 10
MolWt: 834.07 Num_heavy_atoms: 59
TPSA: 219.55 NumAromaticRings: 2

Sugarmoiety
SD00005

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