Glycoside
...
GD018821

Name:
None

Formula:
C51H80O13N4

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)(OC)C[C@H](C)C(=O)[C@H](C)[C@@H]2N(NCCCc3ccnc4ccccc34)C(=O)O[C@@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(NCCCc3ccnc4ccccc34)C(=O)OC12C

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

Other Identifiers

Properties
HBA: 17 RingCount: 6
HBD: 3 FractionCSP3: 0.76
AlogP: 5.59 Num_rotatable_bonds: 13
MolWt: 957.22 Num_heavy_atoms: 68
TPSA: 196.91 NumAromaticRings: 2

Unique Aglycone
AD13206
Formula: C43H66O10N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=O)C(C)C2N(NCCCc3ccnc4ccccc34)C(=O)OC12C
HBA: 14 RingCount: 5
HBD: 3 FractionCSP3: 0.72
AlogP: 4.67 Num_rotatable_bonds: 10
MolWt: 799.02 Num_heavy_atoms: 57
TPSA: 169.22 NumAromaticRings: 2

Sugarmoiety
SD00005

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