Glycoside
...
GD009511

Name:
None

Formula:
C63H74O23N2

Smiles:
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O[C@@H]5O[C@H](COC(C)=O)[C@H](O[C@@H]6O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(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:
COC(C)=O.COC(C)=O.COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 25 RingCount: 10
HBD: 0 FractionCSP3: 0.51
AlogP: 6.15 Num_rotatable_bonds: 16
MolWt: 1227.28 Num_heavy_atoms: 88
TPSA: 273.65 NumAromaticRings: 4

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
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
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O