Glycoside
...
GD003976

Name:
None

Formula:
C49H82O12N4

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)CCCNc3ccnc4ccccc34)[C@H]2O)[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)CCCNc3ccnc4ccccc34)C2O)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: 6 FractionCSP3: 0.8
AlogP: 4.32 Num_rotatable_bonds: 12
MolWt: 919.21 Num_heavy_atoms: 65
TPSA: 205.0 NumAromaticRings: 2

Unique Aglycone
AD03539
Formula: C41H68O9N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)CCCNc3ccnc4ccccc34)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.76
AlogP: 3.4 Num_rotatable_bonds: 9
MolWt: 761.01 Num_heavy_atoms: 54
TPSA: 177.31 NumAromaticRings: 2

Sugarmoiety
SD00005

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