Glycoside
...
GD039799

Name:
(2~{s})-~{n}-[2-[[(2~{s})-1-[[(2~{s},3~{r})-3-[(2~{s},3~{r},4~{r},5~{r},6~{r})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{s})-1-[(2~{s})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{s})-2-azanylpropanoyl]pyrrolidine-2-carboxamide

Formula:
C33H55O14N9

Smiles:
CC(=O)N[C@@H]1[C@@H](O[C@H](C)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(N)=O)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:
CC(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(N)=O)C(C)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 3
HBD: 13 FractionCSP3: 0.76
AlogP: -7.27 Num_rotatable_bonds: 17
MolWt: 801.85 Num_heavy_atoms: 56
TPSA: 354.61 NumAromaticRings: 0

Unique Aglycone
AD24542
Formula: C25H42O9N8

Smiles:
CC(N)C(=O)N1CCCC1C(=O)NCC(=O)NC(CO)C(=O)NC(C(=O)NC(C)C(=O)N1CCCC1C(N)=O)C(C)O
HBA: 17 RingCount: 2
HBD: 10 FractionCSP3: 0.72
AlogP: -5.24 Num_rotatable_bonds: 13
MolWt: 598.66 Num_heavy_atoms: 42
TPSA: 266.59 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O