Glycoside
...
GD015700

Name:
None

Formula:
C52H88O12N4

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]2OCCCN(C)Cc2cnc3ccccc3c2)[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)C2OCCCN(C)Cc2cnc3ccccc3c2)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 4 FractionCSP3: 0.81
AlogP: 5.0 Num_rotatable_bonds: 14
MolWt: 961.29 Num_heavy_atoms: 68
TPSA: 185.21 NumAromaticRings: 2

Unique Aglycone
AD11379
Formula: C44H74O9N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OCCCN(C)Cc2cnc3ccccc3c2)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 13 RingCount: 4
HBD: 4 FractionCSP3: 0.77
AlogP: 4.07 Num_rotatable_bonds: 11
MolWt: 803.1 Num_heavy_atoms: 57
TPSA: 157.52 NumAromaticRings: 2

Sugarmoiety
SD00005

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