Glycoside
...
GD030720

Name:
None

Formula:
C43H78O14N2

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](OCCCNC(C)=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(OCCCNC(C)=O)C1(C)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 3
HBD: 4 FractionCSP3: 0.93
AlogP: 2.99 Num_rotatable_bonds: 13
MolWt: 847.1 Num_heavy_atoms: 59
TPSA: 201.01 NumAromaticRings: 0

Unique Aglycone
AD19866
Formula: C35H64O11N2

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(OCCCNC(C)=O)C1(C)O
HBA: 13 RingCount: 2
HBD: 4 FractionCSP3: 0.91
AlogP: 2.07 Num_rotatable_bonds: 10
MolWt: 688.9 Num_heavy_atoms: 48
TPSA: 173.32 NumAromaticRings: 0

Sugarmoiety
SD00005

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