Glycoside
...
GD003390

Name:
None

Formula:
C51H84O13N4

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)Nc2ccc3ccccc3c2)[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)Nc2ccc3ccccc3c2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 7 FractionCSP3: 0.76
AlogP: 4.64 Num_rotatable_bonds: 12
MolWt: 961.25 Num_heavy_atoms: 68
TPSA: 221.21 NumAromaticRings: 2

Unique Aglycone
AD03084
Formula: C43H70O10N4

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)Nc2ccc3ccccc3c2)C(C)C(O)C1(C)O
HBA: 14 RingCount: 4
HBD: 7 FractionCSP3: 0.72
AlogP: 3.71 Num_rotatable_bonds: 9
MolWt: 803.05 Num_heavy_atoms: 57
TPSA: 193.52 NumAromaticRings: 2

Sugarmoiety
SD00005

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