Glycoside
...
GD017649

Name:
None

Formula:
C48H54O13N2

Smiles:
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O[C@@H]5OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC4

Aglycone:
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 9
HBD: 0 FractionCSP3: 0.44
AlogP: 6.68 Num_rotatable_bonds: 8
MolWt: 866.96 Num_heavy_atoms: 63
TPSA: 149.99 NumAromaticRings: 4

Unique Aglycone
AD05812
Formula: C37H40O6N2

Smiles:
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4
HBA: 8 RingCount: 8
HBD: 1 FractionCSP3: 0.35
AlogP: 6.86 Num_rotatable_bonds: 3
MolWt: 608.73 Num_heavy_atoms: 45
TPSA: 72.86 NumAromaticRings: 4

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O