Glycoside
...
GD015981

Name:
None

Formula:
C53H87O14N5

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(CCN(CCC(N)=O)C(=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(CCN(CCC(N)=O)C(=O)Nc2ccc3ccccc3c2)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 5
HBD: 8 FractionCSP3: 0.75
AlogP: 3.83 Num_rotatable_bonds: 14
MolWt: 1018.3 Num_heavy_atoms: 72
TPSA: 255.51 NumAromaticRings: 2

Unique Aglycone
AD11557
Formula: C45H73O11N5

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCN(CCC(N)=O)C(=O)Nc2ccc3ccccc3c2)C(C)C(O)C1(C)O
HBA: 16 RingCount: 4
HBD: 8 FractionCSP3: 0.71
AlogP: 2.91 Num_rotatable_bonds: 11
MolWt: 860.1 Num_heavy_atoms: 61
TPSA: 227.82 NumAromaticRings: 2

Sugarmoiety
SD00005

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