Glycoside
...
GD009508

Name:
None

Formula:
C72H95O19N3

Smiles:
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3CC[C@]4(C)[C@H](CC[C@]5(C)[C@H]4C(=O)C=C4[C@@H]6C[C@@](C)(C(=O)N[C@H](Cc7ccccc7)C(=O)OC)CC[C@@]6(C)CC[C@]45C)C3(C)C)O[C@@H](C(=O)N[C@H](Cc3ccccc3)C(=O)OC)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)C(Cc1ccccc1)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)C(Cc1ccccc1)NC=O.COC(=O)C(Cc1ccccc1)NC=O

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 10
HBD: 8 FractionCSP3: 0.62
AlogP: 4.69 Num_rotatable_bonds: 19
MolWt: 1306.55 Num_heavy_atoms: 94
TPSA: 321.34 NumAromaticRings: 3

Unique Aglycone
AD07450
Formula: C40H57O5N

Smiles:
COC(=O)C(Cc1ccccc1)NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.72
AlogP: 7.23 Num_rotatable_bonds: 5
MolWt: 631.9 Num_heavy_atoms: 46
TPSA: 92.7 NumAromaticRings: 1
AD07451
Formula: C11H13O3N

Smiles:
COC(=O)C(Cc1ccccc1)NC=O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.27
AlogP: 0.52 Num_rotatable_bonds: 5
MolWt: 207.23 Num_heavy_atoms: 15
TPSA: 55.4 NumAromaticRings: 1

Sugarmoiety
SD00502

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O