Glycoside
...
GD035847

Name:
None

Formula:
C60H101O16N3

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)[C@]2(O)CC[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5(C)[C@H]4[C@H](O)C[C@]32C)[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)C2(O)CCC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC32C)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 8 FractionCSP3: 0.88
AlogP: 3.79 Num_rotatable_bonds: 12
MolWt: 1120.47 Num_heavy_atoms: 79
TPSA: 266.71 NumAromaticRings: 0

Unique Aglycone
AD22654
Formula: C52H87O13N3

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)C2(O)CCC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC32C)C(C)C(O)C1(C)O
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.87
AlogP: 2.86 Num_rotatable_bonds: 9
MolWt: 962.28 Num_heavy_atoms: 68
TPSA: 239.02 NumAromaticRings: 0

Sugarmoiety
SD00005

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