Glycoside
...
GD011789

Name:
None

Formula:
C52H84O15N3Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCCC(=O)NCCc3ccccc3Cl)[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](O)[C@]1(C)O

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)C(O)C1(C)O.O=C(O)NCCCC(=O)NCCc1ccccc1Cl

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 5 FractionCSP3: 0.8
AlogP: 4.97 Num_rotatable_bonds: 16
MolWt: 1014.69 Num_heavy_atoms: 70
TPSA: 230.11 NumAromaticRings: 1

Unique Aglycone
AD00774
Formula: C30H55O10N

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)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 4 FractionCSP3: 0.93
AlogP: 1.51 Num_rotatable_bonds: 5
MolWt: 589.77 Num_heavy_atoms: 41
TPSA: 155.22 NumAromaticRings: 0
AD08962
Formula: C14H17O3N2Cl

Smiles:
O=C(O)NCCCC(=O)NCCc1ccccc1Cl
HBA: 5 RingCount: 1
HBD: 3 FractionCSP3: 0.38
AlogP: 2.05 Num_rotatable_bonds: 7
MolWt: 284.74 Num_heavy_atoms: 19
TPSA: 78.43 NumAromaticRings: 1

Sugarmoiety
SD00005

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