Glycoside
...
GD031135

Name:
None

Formula:
C39H52O12N4

Smiles:
CO[C@@H]1[C@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN(C)C(=O)CCCN(C)C)c4)c(=O)oc3c2C)OC1(C)C

Aglycone:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)CCCN(C)C)c1O

Sugarmoiety:
COC1C(OC(N)=O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 6 FractionCSP3: 0.49
AlogP: 3.93 Num_rotatable_bonds: 14
MolWt: 768.86 Num_heavy_atoms: 55
TPSA: 223.56 NumAromaticRings: 3

Unique Aglycone
AD20082
Formula: C30H37O7N3

Smiles:
CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)CCCN(C)C)c1O
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.37
AlogP: 4.28 Num_rotatable_bonds: 10
MolWt: 551.64 Num_heavy_atoms: 40
TPSA: 143.55 NumAromaticRings: 3

Sugarmoiety
SD00588

COC1C(OC(N)=O)C(O)C(O)OC1(C)C